1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol

C18H24N2O — CID 64783095

IUPAC1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccn(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-2-18(21,15-8-4-3-5-9-15)14-16-12-13-20(19-16)17-10-6-7-11-17/h3-5,8-9,12-13,17,21H,2,6-7,10-11,14H2,1H3
InChIKeyFERCLRRFLKKBMU-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.84
Rot. Bonds5

About 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol

1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol (PubChem CID 64783095) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol
PubChem CID64783095
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol
SMILESCCC(O)(Cc1ccn(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-2-18(21,15-8-4-3-5-9-15)14-16-12-13-20(19-16)17-10-6-7-11-17/h3-5,8-9,12-13,17,21H,2,6-7,10-11,14H2,1H3
InChIKeyFERCLRRFLKKBMU-UHFFFAOYSA-N
XLogP3.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-2-(2-fluorophenyl)propan-2-ol
CID 64783669
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
CID 106487455
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
CID 64784256
1-cyclohexyl-3-ethylpyrazole
CID 66014335
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
CID 64784289
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole
CID 79447968

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol?
The IUPAC name of 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol (CID 64783095) is 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol?
The canonical SMILES for 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol is CCC(O)(Cc1ccn(C2CCCC2)n1)c1ccccc1.
What is the InChIKey of 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol?
The InChIKey is FERCLRRFLKKBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-18(21,15-8-4-3-5-9-15)14-16-12-13-20(19-16)17-10-6-7-11-17/h3-5,8-9,12-13,17,21H,2,6-7,10-11,14H2,1H3.
What are the key properties of 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol?
1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol has a molecular weight of 284.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol is sourced from PubChem (CID 64783095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).