| CAS Number | 952674-76-9 |
| Catalog Number | AG00IIWP(AGN-PC-0WR2XC) |
| Chemical Name | tert-Butyl 1H-pyrazol-3-ylcarbamate |
| IUPAC Name | tert-butyl N-(1H-pyrazol-5-yl)carbamate |
| InChI | InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)10-6-4-5-9-11-6/h4-5H,1-3H3,(H2,9,10,11,12) |
| InChI Key | RZIAELOQCATLDL-UHFFFAOYSA-N |
| MDL Number | MFCD14635783 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | O=C(N=c1cc[nH][nH]1)OC(C)(C)C |
| Synonyms | tert-butyl 1H-pyrazol-3-ylcarbamate,
952674-76-9,
3-(Boc-amino)pyrazole,
tert-Butyl 1H-pyrazol-5-ylcarbamate,
SCHEMBL1609995,
SCHEMBL14116753,
RZIAELOQCATLDL-UHFFFAOYSA-N,
t-Butyl 1H-pyrazol-5-ylcarbamate,
MFCD14635783,
MFCD30472059,
ZINC42413931,
AKOS010652471,
AKOS030628275,
tert-Butyl (1H-pyrazol-5-yl)carbamate,
AS-44921,
CS-0036075,
Carbamic acid, N-1H-pyrazol-3-yl-, 1,1-dimethylethyl ester,
N/A,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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