4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one

C18H22N2O — CID 64777764

IUPAC4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one
SMILESO=C(CCCc1ccn(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(15-7-2-1-3-8-15)12-6-9-16-13-14-20(19-16)17-10-4-5-11-17/h1-3,7-8,13-14,17H,4-6,9-12H2
InChIKeyBVBDLJSPNQMQQP-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.20
Rot. Bonds6

About 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one

4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one (PubChem CID 64777764) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one.

Molecular Properties

Compound Name4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one
PubChem CID64777764
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one
SMILESO=C(CCCc1ccn(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C18H22N2O/c21-18(15-7-2-1-3-8-15)12-6-9-16-13-14-20(19-16)17-10-4-5-11-17/h1-3,7-8,13-14,17H,4-6,9-12H2
InChIKeyBVBDLJSPNQMQQP-UHFFFAOYSA-N
XLogP4.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
4-(1-pentan-3-ylpyrazol-3-yl)-1-phenylbutan-1-one
CID 64777574
3-(1-cyclopentylpyrazol-3-yl)-1-hydroxy-1-phenylpropan-2-one
CID 103458105
1-(2-chlorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanone
CID 64784504
2-(1-cyclohexylpyrazol-3-yl)-1-pyridin-3-ylethanone
CID 64783341
N-(cyclodecapentaenyl)-2-(1-cycloheptylpyrazol-3-yl)acetamide
CID 177025916
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801507
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
CID 64785385

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one?
The IUPAC name of 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one (CID 64777764) is 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one.
What is the SMILES notation for 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one?
The canonical SMILES for 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one is O=C(CCCc1ccn(C2CCCC2)n1)c1ccccc1.
What is the InChIKey of 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one?
The InChIKey is BVBDLJSPNQMQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(15-7-2-1-3-8-15)12-6-9-16-13-14-20(19-16)17-10-4-5-11-17/h1-3,7-8,13-14,17H,4-6,9-12H2.
What are the key properties of 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one?
4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one has a molecular weight of 282.39 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopentylpyrazol-3-yl)-1-phenylbutan-1-one is sourced from PubChem (CID 64777764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).