[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol

C11H18N2O — CID 95732661

IUPAC[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(CC2CCCCC2)n[nH]1
InChIInChI=1S/C11H18N2O/c14-8-11-7-10(12-13-11)6-9-4-2-1-3-5-9/h7,9,14H,1-6,8H2,(H,12,13)
InChIKeyBRCDZWGXDYBVLZ-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds3

About [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol

[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol (PubChem CID 95732661) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol
PubChem CID95732661
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol
SMILESOCc1cc(CC2CCCCC2)n[nH]1
InChIInChI=1S/C11H18N2O/c14-8-11-7-10(12-13-11)6-9-4-2-1-3-5-9/h7,9,14H,1-6,8H2,(H,12,13)
InChIKeyBRCDZWGXDYBVLZ-UHFFFAOYSA-N
XLogP2.02
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol?
The IUPAC name of [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol (CID 95732661) is [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol?
The canonical SMILES for [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol is OCc1cc(CC2CCCCC2)n[nH]1.
What is the InChIKey of [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol?
The InChIKey is BRCDZWGXDYBVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-8-11-7-10(12-13-11)6-9-4-2-1-3-5-9/h7,9,14H,1-6,8H2,(H,12,13).
What are the key properties of [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol?
[3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol has a molecular weight of 194.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)-1H-pyrazol-5-yl]methanol is sourced from PubChem (CID 95732661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).