N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

C19H25N5O3S — CID 97344709

IUPACN-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccccn2)C1)C1CCCC1
InChIInChI=1S/C19H25N5O3S/c25-19(14-6-1-2-7-14)22-16-12-21-23-18(16)15-8-5-11-24(13-15)28(26,27)17-9-3-4-10-20-17/h3-4,9-10,12,14-15H,1-2,5-8,11,13H2,(H,21,23)(H,22,25)/t15-/m0/s1
InChIKeyDHSPTCKRDIHQEO-HNNXBMFYSA-N
MW403.51 g/mol
LogP2.50
Rot. Bonds5

About N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 97344709) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID97344709
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccccn2)C1)C1CCCC1
InChIInChI=1S/C19H25N5O3S/c25-19(14-6-1-2-7-14)22-16-12-21-23-18(16)15-8-5-11-24(13-15)28(26,27)17-9-3-4-10-20-17/h3-4,9-10,12,14-15H,1-2,5-8,11,13H2,(H,21,23)(H,22,25)/t15-/m0/s1
InChIKeyDHSPTCKRDIHQEO-HNNXBMFYSA-N
XLogP2.50
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344701
N-(5-cyclopropyl-1H-pyrazol-4-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126834655
N-[5-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343262
N-[5-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343986
N-[5-[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97343980
N-[5-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 75473820
N-[5-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 136521649
1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474634
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
N-[5-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]piperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 166409296
N-[5-[(3R)-1-(3-cyano-2-pyridinyl)piperidin-3-yl]-1H-pyrazol-4-yl]benzamide
CID 97343961
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958662

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 97344709) is N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is O=C(Nc1cn[nH]c1[C@H]1CCCN(S(=O)(=O)c2ccccn2)C1)C1CCCC1.
What is the InChIKey of N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is DHSPTCKRDIHQEO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c25-19(14-6-1-2-7-14)22-16-12-21-23-18(16)15-8-5-11-24(13-15)28(26,27)17-9-3-4-10-20-17/h3-4,9-10,12,14-15H,1-2,5-8,11,13H2,(H,21,23)(H,22,25)/t15-/m0/s1.
What are the key properties of N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 403.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 97344709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).