[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone

C20H24ClN3O — CID 110268744

IUPAC[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCCC1c1[nH]ncc1-c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O/c21-16-9-4-8-15(12-16)17-13-22-23-19(17)18-10-5-11-24(18)20(25)14-6-2-1-3-7-14/h4,8-9,12-14,18H,1-3,5-7,10-11H2,(H,22,23)
InChIKeyDTQNEBLZMDQUMV-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.97
Rot. Bonds3

About [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone

[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone (PubChem CID 110268744) has the molecular formula C20H24ClN3O and a molecular weight of 357.88 g/mol. Its IUPAC name is [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
PubChem CID110268744
Molecular FormulaC20H24ClN3O
Molecular Weight357.88 g/mol
Exact Mass357.16
IUPAC Name[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCCC1c1[nH]ncc1-c1cccc(Cl)c1
InChIInChI=1S/C20H24ClN3O/c21-16-9-4-8-15(12-16)17-13-22-23-19(17)18-10-5-11-24(18)20(25)14-6-2-1-3-7-14/h4,8-9,12-14,18H,1-3,5-7,10-11H2,(H,22,23)
InChIKeyDTQNEBLZMDQUMV-UHFFFAOYSA-N
XLogP4.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110218063
(4-chlorophenyl)-[(2S)-2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95816601
1-[(2S)-2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-4-(N-methylanilino)butan-1-one
CID 95840313
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 110149596
2-(3-chlorophenyl)-1-[(2R)-2-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 92568328
2-(azepan-1-yl)-1-[2-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone
CID 110268780
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95837004
4-(3-chlorophenyl)-5-cyclopropyl-1H-pyrazole
CID 126673050
(4-chlorophenyl)-[(2R)-2-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95840145
1-[2-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110253960

Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone?
The IUPAC name of [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone (CID 110268744) is [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone is O=C(C1CCCCC1)N1CCCC1c1[nH]ncc1-c1cccc(Cl)c1.
What is the InChIKey of [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone?
The InChIKey is DTQNEBLZMDQUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c21-16-9-4-8-15(12-16)17-13-22-23-19(17)18-10-5-11-24(18)20(25)14-6-2-1-3-7-14/h4,8-9,12-14,18H,1-3,5-7,10-11H2,(H,22,23).
What are the key properties of [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone?
[2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone has a molecular weight of 357.88 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 110268744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).