1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol

C18H30N2O — CID 107450001

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C18H30N2O/c1-14(2)15-6-5-10-18(21,12-15)13-16-9-11-20(19-16)17-7-3-4-8-17/h9,11,14-15,17,21H,3-8,10,12-13H2,1-2H3
InChIKeyDVNXPPVEIHQCAW-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.12
Rot. Bonds4

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107450001) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
PubChem CID107450001
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C18H30N2O/c1-14(2)15-6-5-10-18(21,12-15)13-16-9-11-20(19-16)17-7-3-4-8-17/h9,11,14-15,17,21H,3-8,10,12-13H2,1-2H3
InChIKeyDVNXPPVEIHQCAW-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol (CID 107450001) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is DVNXPPVEIHQCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)15-6-5-10-18(21,12-15)13-16-9-11-20(19-16)17-7-3-4-8-17/h9,11,14-15,17,21H,3-8,10,12-13H2,1-2H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.12, 4 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]-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107450001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).