cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone

C20H25N3O — CID 169094718

IUPACcyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(c2ccc(-c3cn[nH]c3)cc2)CC1
InChIInChI=1S/C20H25N3O/c24-20(18-3-1-2-4-18)23-11-9-17(10-12-23)15-5-7-16(8-6-15)19-13-21-22-14-19/h5-8,13-14,17-18H,1-4,9-12H2,(H,21,22)
InChIKeyFHCQJJIMAKLQCH-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.97
Rot. Bonds3

About cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone

cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone (PubChem CID 169094718) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone
PubChem CID169094718
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Namecyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCC(c2ccc(-c3cn[nH]c3)cc2)CC1
InChIInChI=1S/C20H25N3O/c24-20(18-3-1-2-4-18)23-11-9-17(10-12-23)15-5-7-16(8-6-15)19-13-21-22-14-19/h5-8,13-14,17-18H,1-4,9-12H2,(H,21,22)
InChIKeyFHCQJJIMAKLQCH-UHFFFAOYSA-N
XLogP3.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone
CID 118674355
[4-[2-fluoro-4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]-[(1R,3S)-3-hydroxycyclopentyl]methanone
CID 176618480
cyclohexyl-[(4S)-4-[[5-(1H-pyrazol-4-yl)benzimidazol-1-yl]methyl]azepan-1-yl]methanone
CID 130434277
1,3-dihydroisoindol-2-yl-[1-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]methanone
CID 169094876
1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
CID 69133100
1-[(3S)-3-[4-(1H-pyrazol-4-yl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 95980745
cyclopropyl-[4-(4-ethenylphenyl)piperidin-1-yl]methanone
CID 176576901
cyclobutyl-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480734
(3-phenylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 62069692
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
[4-(4-aminophenyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 68588763
[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 166278548

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone (CID 169094718) is cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone is O=C(C1CCCC1)N1CCC(c2ccc(-c3cn[nH]c3)cc2)CC1.
What is the InChIKey of cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone?
The InChIKey is FHCQJJIMAKLQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(18-3-1-2-4-18)23-11-9-17(10-12-23)15-5-7-16(8-6-15)19-13-21-22-14-19/h5-8,13-14,17-18H,1-4,9-12H2,(H,21,22).
What are the key properties of cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone?
cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-1-yl]methanone is sourced from PubChem (CID 169094718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).