| CAS Number | 1542668-25-6 |
| Catalog Number | AG017Z5V(AGN-PC-0WO8FS) |
| Chemical Name | 1-(3-methyl-1H-pyrazol-5-yl)piperidin-4-amine |
| IUPAC Name | 1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine |
| InChI | InChI=1S/C9H16N4/c1-7-6-9(12-11-7)13-4-2-8(10)3-5-13/h6,8H,2-5,10H2,1H3,(H,11,12) |
| InChI Key | HQGTWFNPNNGMJL-UHFFFAOYSA-N |
| MDL Number | MFCD23695380 |
| Molecular Formula | C9H16N4 |
| Molecular Weight | 180.2501 |
| SMILES | CC1=NNC(N2CCC(N)CC2)=C1 |
| Synonyms | 1-(3-methyl-1H-pyrazol-5-yl)piperidin-4-amine,
1542668-25-6,
1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-amine,
HTS008859,
MFCD29767928,
ZINC76604455,
AKOS026706318,
NE26644,
BS-11076,
1-(5-Methyl-2H-pyrazol-3-yl)-piperidin-4-ylamine,
F1907-0375,
C9H16N4,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.255g/mol |
| Monoisotopic Mass | 180.137g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number