1H-pyrazol-4-ylmethanol

C4H6N2O — CID 3015210

IUPAC1H-pyrazol-4-ylmethanol
SMILESOCc1cn[nH]c1
InChIInChI=1S/C4H6N2O/c7-3-4-1-5-6-2-4/h1-2,7H,3H2,(H,5,6)
InChIKeyJRMKJOOJKCAEJK-UHFFFAOYSA-N
MW98.10 g/mol
LogP-0.10
Rot. Bonds1

About 1H-pyrazol-4-ylmethanol

1H-pyrazol-4-ylmethanol (PubChem CID 3015210) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 1H-pyrazol-4-ylmethanol.

Molecular Properties

Compound Name1H-pyrazol-4-ylmethanol
PubChem CID3015210
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name1H-pyrazol-4-ylmethanol
SMILESOCc1cn[nH]c1
InChIInChI=1S/C4H6N2O/c7-3-4-1-5-6-2-4/h1-2,7H,3H2,(H,5,6)
InChIKeyJRMKJOOJKCAEJK-UHFFFAOYSA-N
XLogP-0.10
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-ylmethanol?
The IUPAC name of 1H-pyrazol-4-ylmethanol (CID 3015210) is 1H-pyrazol-4-ylmethanol.
What is the SMILES notation for 1H-pyrazol-4-ylmethanol?
The canonical SMILES for 1H-pyrazol-4-ylmethanol is OCc1cn[nH]c1.
What is the InChIKey of 1H-pyrazol-4-ylmethanol?
The InChIKey is JRMKJOOJKCAEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O/c7-3-4-1-5-6-2-4/h1-2,7H,3H2,(H,5,6).
What are the key properties of 1H-pyrazol-4-ylmethanol?
1H-pyrazol-4-ylmethanol has a molecular weight of 98.10 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-ylmethanol is sourced from PubChem (CID 3015210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).