5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide

C19H27N5O — CID 98750515

IUPAC5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cnn1-c1ccccn1
InChIInChI=1S/C19H27N5O/c1-14-7-6-10-23(12-14)13-15(2)22-19(25)17-11-21-24(16(17)3)18-8-4-5-9-20-18/h4-5,8-9,11,14-15H,6-7,10,12-13H2,1-3H3,(H,22,25)/t14-,15+/m1/s1
InChIKeyZSWBHVLPGKKNLD-CABCVRRESA-N
MW341.46 g/mol
LogP2.43
Rot. Bonds5

About 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide

5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 98750515) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID98750515
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cnn1-c1ccccn1
InChIInChI=1S/C19H27N5O/c1-14-7-6-10-23(12-14)13-15(2)22-19(25)17-11-21-24(16(17)3)18-8-4-5-9-20-18/h4-5,8-9,11,14-15H,6-7,10,12-13H2,1-3H3,(H,22,25)/t14-,15+/m1/s1
InChIKeyZSWBHVLPGKKNLD-CABCVRRESA-N
XLogP2.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
2-hydroxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 47379683
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 108805316
N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 98755620
2-(2-cyanophenyl)sulfanyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 60576162
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 119042010
2,3,4-trimethoxy-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]benzamide
CID 60572108
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(2-hydroxy-2,3-dimethylbutyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111484404

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 98750515) is 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)cnn1-c1ccccn1.
What is the InChIKey of 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is ZSWBHVLPGKKNLD-CABCVRRESA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-7-6-10-23(12-14)13-15(2)22-19(25)17-11-21-24(16(17)3)18-8-4-5-9-20-18/h4-5,8-9,11,14-15H,6-7,10,12-13H2,1-3H3,(H,22,25)/t14-,15+/m1/s1.
What are the key properties of 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide?
5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2S)-1-[(3R)-3-methylpiperidin-1-yl]propan-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 98750515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).