4-(3-methylpyrazol-1-yl)cyclohexan-1-ol

C10H16N2O — CID 58463916

IUPAC4-(3-methylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1ccn(C2CCC(O)CC2)n1
InChIInChI=1S/C10H16N2O/c1-8-6-7-12(11-8)9-2-4-10(13)5-3-9/h6-7,9-10,13H,2-5H2,1H3
InChIKeyQULJYDNKDARLOF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds1

About 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol

4-(3-methylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 58463916) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-methylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID58463916
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(3-methylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1ccn(C2CCC(O)CC2)n1
InChIInChI=1S/C10H16N2O/c1-8-6-7-12(11-8)9-2-4-10(13)5-3-9/h6-7,9-10,13H,2-5H2,1H3
InChIKeyQULJYDNKDARLOF-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol (CID 58463916) is 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol is Cc1ccn(C2CCC(O)CC2)n1.
What is the InChIKey of 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is QULJYDNKDARLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-6-7-12(11-8)9-2-4-10(13)5-3-9/h6-7,9-10,13H,2-5H2,1H3.
What are the key properties of 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
4-(3-methylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 58463916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).