(4-methylpyrazol-1-yl)methanol

C5H8N2O — CID 7172181

IUPAC(4-methylpyrazol-1-yl)methanol
SMILESCc1cnn(CO)c1
InChIInChI=1S/C5H8N2O/c1-5-2-6-7(3-5)4-8/h2-3,8H,4H2,1H3
InChIKeyYSSHPSMVUVILLD-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.14
Rot. Bonds1

About (4-methylpyrazol-1-yl)methanol

(4-methylpyrazol-1-yl)methanol (PubChem CID 7172181) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (4-methylpyrazol-1-yl)methanol.

Molecular Properties

Compound Name(4-methylpyrazol-1-yl)methanol
PubChem CID7172181
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(4-methylpyrazol-1-yl)methanol
SMILESCc1cnn(CO)c1
InChIInChI=1S/C5H8N2O/c1-5-2-6-7(3-5)4-8/h2-3,8H,4H2,1H3
InChIKeyYSSHPSMVUVILLD-UHFFFAOYSA-N
XLogP0.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpyrazol-1-yl)methanol?
The IUPAC name of (4-methylpyrazol-1-yl)methanol (CID 7172181) is (4-methylpyrazol-1-yl)methanol.
What is the SMILES notation for (4-methylpyrazol-1-yl)methanol?
The canonical SMILES for (4-methylpyrazol-1-yl)methanol is Cc1cnn(CO)c1.
What is the InChIKey of (4-methylpyrazol-1-yl)methanol?
The InChIKey is YSSHPSMVUVILLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-5-2-6-7(3-5)4-8/h2-3,8H,4H2,1H3.
What are the key properties of (4-methylpyrazol-1-yl)methanol?
(4-methylpyrazol-1-yl)methanol has a molecular weight of 112.13 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpyrazol-1-yl)methanol is sourced from PubChem (CID 7172181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).