(5-methyl-1H-pyrazol-4-yl)methanol

C5H8N2O — CID 20648899

IUPAC(5-methyl-1H-pyrazol-4-yl)methanol
SMILESCc1[nH]ncc1CO
InChIInChI=1S/C5H8N2O/c1-4-5(3-8)2-6-7-4/h2,8H,3H2,1H3,(H,6,7)
InChIKeyHVLNVBVNWISWQC-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.21
Rot. Bonds1

About (5-methyl-1H-pyrazol-4-yl)methanol

(5-methyl-1H-pyrazol-4-yl)methanol (PubChem CID 20648899) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)methanol
PubChem CID20648899
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(5-methyl-1H-pyrazol-4-yl)methanol
SMILESCc1[nH]ncc1CO
InChIInChI=1S/C5H8N2O/c1-4-5(3-8)2-6-7-4/h2,8H,3H2,1H3,(H,6,7)
InChIKeyHVLNVBVNWISWQC-UHFFFAOYSA-N
XLogP0.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-methyl-1H-pyrazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)methanol?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)methanol (CID 20648899) is (5-methyl-1H-pyrazol-4-yl)methanol.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)methanol?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)methanol is Cc1[nH]ncc1CO.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)methanol?
The InChIKey is HVLNVBVNWISWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-5(3-8)2-6-7-4/h2,8H,3H2,1H3,(H,6,7).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)methanol?
(5-methyl-1H-pyrazol-4-yl)methanol has a molecular weight of 112.13 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)methanol is sourced from PubChem (CID 20648899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).