5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide

C15H18ClN5O — CID 154753686

IUPAC5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCCN1Cc1ccncc1Cl
InChIInChI=1S/C15H18ClN5O/c16-12-8-18-5-4-10(12)9-21-6-2-1-3-13(21)14-11(15(17)22)7-19-20-14/h4-5,7-8,13H,1-3,6,9H2,(H2,17,22)(H,19,20)
InChIKeyAURFYNWHQUMKBS-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.28
Rot. Bonds4

About 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide

5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 154753686) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID154753686
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCCN1Cc1ccncc1Cl
InChIInChI=1S/C15H18ClN5O/c16-12-8-18-5-4-10(12)9-21-6-2-1-3-13(21)14-11(15(17)22)7-19-20-14/h4-5,7-8,13H,1-3,6,9H2,(H2,17,22)(H,19,20)
InChIKeyAURFYNWHQUMKBS-UHFFFAOYSA-N
XLogP2.28
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 154756104
methyl (2R)-1-[(3-chloro-4-pyridinyl)methyl]piperidine-2-carboxylate
CID 79833064
N-benzyl-N-methyl-5-[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124998845
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
4-[[2-(2-bromoethyl)piperidin-1-yl]methyl]-3-chloropyridine
CID 80671260
1-[(3-chloro-4-pyridinyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426538
N-benzyl-5-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110088134
5-[(2S)-1-[(3-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95826977
5-[5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860474
1-[(3-chloro-4-pyridinyl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681930
N-methyl-5-[(2S)-1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 95848415
2-[[(2S)-2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrazine
CID 125023711

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide (CID 154753686) is 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1C1CCCCN1Cc1ccncc1Cl.
What is the InChIKey of 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is AURFYNWHQUMKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c16-12-8-18-5-4-10(12)9-21-6-2-1-3-13(21)14-11(15(17)22)7-19-20-14/h4-5,7-8,13H,1-3,6,9H2,(H2,17,22)(H,19,20).
What are the key properties of 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide?
5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 319.80 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154753686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).