| CAS Number | 1170640-87-5 |
| Catalog Number | AG00JFR2(AGN-PC-0WBCC5) |
| Chemical Name | 1-Methyl-4-(2-pyrrolidinyl)-1H-pyrazole |
| IUPAC Name | 1-methyl-4-pyrrolidin-2-ylpyrazole |
| InChI | InChI=1S/C8H13N3/c1-11-6-7(5-10-11)8-3-2-4-9-8/h5-6,8-9H,2-4H2,1H3 |
| InChI Key | VRQSNISBSWLYIN-UHFFFAOYSA-N |
| MDL Number | MFCD09859200 |
| Molecular Formula | C8H13N3 |
| Molecular Weight | 151.2089 |
| SMILES | CN1N=CC(C2NCCC2)=C1 |
| Synonyms | 1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole,
1170640-87-5,
1-methyl-4-pyrrolidin-2-yl-1H-pyrazole,
1-methyl-4-pyrrolidin-2-ylpyrazole,
AC1Q3YSS,
SCHEMBL17940587,
MFCD09859200,
SBB025961,
STK352889,
AKOS005168471,
MCULE-9647662650,
NE18524,
BS-13365,
ST45133921,
EN300-69085,
Z1259339823,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 151.213g/mol |
| Monoisotopic Mass | 151.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number