[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol

C14H22N2O — CID 66024341

IUPAC[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
SMILESOCC1(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C14H22N2O/c17-11-14(7-8-14)10-12-6-9-16(15-12)13-4-2-1-3-5-13/h6,9,13,17H,1-5,7-8,10-11H2
InChIKeyWPBKIGWEPNCVSX-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.70
Rot. Bonds4

About [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol

[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol (PubChem CID 66024341) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
PubChem CID66024341
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
SMILESOCC1(Cc2ccn(C3CCCCC3)n2)CC1
InChIInChI=1S/C14H22N2O/c17-11-14(7-8-14)10-12-6-9-16(15-12)13-4-2-1-3-5-13/h6,9,13,17H,1-5,7-8,10-11H2
InChIKeyWPBKIGWEPNCVSX-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
[3-[(1-cyclopentylpyrazol-3-yl)methyl]oxan-3-yl]methanol
CID 66057982
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]cyclopropyl]methyl]ethanamine
CID 66026217
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
3-[[3-(bromomethyl)oxolan-3-yl]methyl]-1-cyclohexylpyrazole
CID 66050961
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863268
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79852504
N-[[3-[(1-cyclohexylpyrazol-3-yl)methyl]oxolan-3-yl]methyl]ethanamine
CID 64778892

Frequently Asked Questions

What is the IUPAC name of [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol (CID 66024341) is [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol is OCC1(Cc2ccn(C3CCCCC3)n2)CC1.
What is the InChIKey of [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol?
The InChIKey is WPBKIGWEPNCVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-11-14(7-8-14)10-12-6-9-16(15-12)13-4-2-1-3-5-13/h6,9,13,17H,1-5,7-8,10-11H2.
What are the key properties of [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol?
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol has a molecular weight of 234.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 66024341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).