(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol

C17H22N2O — CID 107181622

IUPAC(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol
SMILESCC1(C)CCCC1C(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-17(2)10-6-9-15(17)16(20)13-11-18-19(12-13)14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16,20H,6,9-10H2,1-2H3
InChIKeyRDSPRCGRPICFGW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.73
Rot. Bonds3

About (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol

(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 107181622) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID107181622
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol
SMILESCC1(C)CCCC1C(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-17(2)10-6-9-15(17)16(20)13-11-18-19(12-13)14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16,20H,6,9-10H2,1-2H3
InChIKeyRDSPRCGRPICFGW-UHFFFAOYSA-N
XLogP3.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
(1-phenylpyrazol-4-yl)-piperidin-4-ylmethanol
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(1-phenylpyrazol-4-yl)methanediol
CID 70397428
4-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-phenylpyrazole
CID 66477141
4-[bromo(cyclobutyl)methyl]-1-phenylpyrazole
CID 61096953
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
4-[bromo(cyclopropyl)methyl]-1-phenylpyrazole
CID 61095952
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
3-cyclopentyl-N-methyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486019
(1S)-1-cyclopentyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]ethanamine
CID 81473468
N-methyl-1-(oxan-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 62212980
N-methyl-1-(2-methylcyclopentyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 107177279

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol (CID 107181622) is (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol is CC1(C)CCCC1C(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is RDSPRCGRPICFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2)10-6-9-15(17)16(20)13-11-18-19(12-13)14-7-4-3-5-8-14/h3-5,7-8,11-12,15-16,20H,6,9-10H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol?
(2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 270.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 107181622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).