1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol

C17H28N2O — CID 79852504

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H28N2O/c1-16(2)10-5-6-11-17(16,20)13-14-9-12-19(18-14)15-7-3-4-8-15/h9,12,15,20H,3-8,10-11,13H2,1-2H3
InChIKeyRZVYPFRCSYNJDF-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.87
Rot. Bonds3

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol

1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol (PubChem CID 79852504) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
PubChem CID79852504
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCCC1(O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C17H28N2O/c1-16(2)10-5-6-11-17(16,20)13-14-9-12-19(18-14)15-7-3-4-8-15/h9,12,15,20H,3-8,10-11,13H2,1-2H3
InChIKeyRZVYPFRCSYNJDF-UHFFFAOYSA-N
XLogP3.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81002641
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
N-[(1-cyclohexylpyrazol-3-yl)methyl]-1-methylcyclopentan-1-amine
CID 64799126
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450001
3-[(1-cyclohexylpyrazol-3-yl)methyl]-5,5-dimethylthian-3-ol
CID 79954321

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol (CID 79852504) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol is CC1(C)CCCCC1(O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
The InChIKey is RZVYPFRCSYNJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-16(2)10-5-6-11-17(16,20)13-14-9-12-19(18-14)15-7-3-4-8-15/h9,12,15,20H,3-8,10-11,13H2,1-2H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.87, 3 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)methyl]-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 79852504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).