(4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol

C5H7FN2O — CID 89147280

IUPAC(4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol
SMILESCc1[nH]nc(CO)c1F
InChIInChI=1S/C5H7FN2O/c1-3-5(6)4(2-9)8-7-3/h9H,2H2,1H3,(H,7,8)
InChIKeyMZZLEWBEVSOOCN-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.35
Rot. Bonds1

About (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol

(4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol (PubChem CID 89147280) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol
PubChem CID89147280
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name(4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol
SMILESCc1[nH]nc(CO)c1F
InChIInChI=1S/C5H7FN2O/c1-3-5(6)4(2-9)8-7-3/h9H,2H2,1H3,(H,7,8)
InChIKeyMZZLEWBEVSOOCN-UHFFFAOYSA-N
XLogP0.35
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol?
The IUPAC name of (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol (CID 89147280) is (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol is Cc1[nH]nc(CO)c1F.
What is the InChIKey of (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol?
The InChIKey is MZZLEWBEVSOOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-3-5(6)4(2-9)8-7-3/h9H,2H2,1H3,(H,7,8).
What are the key properties of (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol?
(4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol has a molecular weight of 130.12 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-5-methyl-1H-pyrazol-3-yl)methanol is sourced from PubChem (CID 89147280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).