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

C5H8N2O — CID 57035514

IUPAC(4-methyl-1H-pyrazol-5-yl)methanol
SMILESCc1cn[nH]c1CO
InChIInChI=1S/C5H8N2O/c1-4-2-6-7-5(4)3-8/h2,8H,3H2,1H3,(H,6,7)
InChIKeyQIQGLPRCMHFDEO-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.21
Rot. Bonds1

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

(4-methyl-1H-pyrazol-5-yl)methanol (PubChem CID 57035514) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is (4-methyl-1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name(4-methyl-1H-pyrazol-5-yl)methanol
PubChem CID57035514
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name(4-methyl-1H-pyrazol-5-yl)methanol
SMILESCc1cn[nH]c1CO
InChIInChI=1S/C5H8N2O/c1-4-2-6-7-5(4)3-8/h2,8H,3H2,1H3,(H,6,7)
InChIKeyQIQGLPRCMHFDEO-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

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrazol-5-yl)methanol?
The IUPAC name of (4-methyl-1H-pyrazol-5-yl)methanol (CID 57035514) is (4-methyl-1H-pyrazol-5-yl)methanol.
What is the SMILES notation for (4-methyl-1H-pyrazol-5-yl)methanol?
The canonical SMILES for (4-methyl-1H-pyrazol-5-yl)methanol is Cc1cn[nH]c1CO.
What is the InChIKey of (4-methyl-1H-pyrazol-5-yl)methanol?
The InChIKey is QIQGLPRCMHFDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-2-6-7-5(4)3-8/h2,8H,3H2,1H3,(H,6,7).
What are the key properties of (4-methyl-1H-pyrazol-5-yl)methanol?
(4-methyl-1H-pyrazol-5-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 (4-methyl-1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 57035514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).