1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile

C15H20N4O — CID 95768398

IUPAC1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CCCC1
InChIInChI=1S/C15H20N4O/c16-11-15(6-1-2-7-15)14(20)19-9-3-4-12(10-19)13-5-8-17-18-13/h5,8,12H,1-4,6-7,9-10H2,(H,17,18)/t12-/m0/s1
InChIKeyQRRVTRCOAPQBLB-LBPRGKRZSA-N
MW272.35 g/mol
LogP2.20
Rot. Bonds2

About 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile

1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 95768398) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID95768398
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CCCC1
InChIInChI=1S/C15H20N4O/c16-11-15(6-1-2-7-15)14(20)19-9-3-4-12(10-19)13-5-8-17-18-13/h5,8,12H,1-4,6-7,9-10H2,(H,17,18)/t12-/m0/s1
InChIKeyQRRVTRCOAPQBLB-LBPRGKRZSA-N
XLogP2.20
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717
(4,4-difluorocyclohexyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271226
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
[1-(4-methoxyphenyl)cyclopentyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56701547
cyclopent-3-en-1-yl-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95775037
1-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 95590992
3-(propan-2-ylamino)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 54873257
[1-(imidazol-1-ylmethyl)cyclopropyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 131938482
2-methyl-3-oxo-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoic acid
CID 114897652
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
1-[(3S)-3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]piperidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 169316689

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile (CID 95768398) is 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)CCCC1.
What is the InChIKey of 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is QRRVTRCOAPQBLB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c16-11-15(6-1-2-7-15)14(20)19-9-3-4-12(10-19)13-5-8-17-18-13/h5,8,12H,1-4,6-7,9-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 95768398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).