2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol

C7H11FN2O — CID 89032467

IUPAC2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol
SMILESCc1[nH]nc(C(C)(C)O)c1F
InChIInChI=1S/C7H11FN2O/c1-4-5(8)6(10-9-4)7(2,3)11/h11H,1-3H3,(H,9,10)
InChIKeyAKDJQDJOHDRWKM-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.08
Rot. Bonds1

About 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol

2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol (PubChem CID 89032467) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol
PubChem CID89032467
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol
SMILESCc1[nH]nc(C(C)(C)O)c1F
InChIInChI=1S/C7H11FN2O/c1-4-5(8)6(10-9-4)7(2,3)11/h11H,1-3H3,(H,9,10)
InChIKeyAKDJQDJOHDRWKM-UHFFFAOYSA-N
XLogP1.08
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol?
The IUPAC name of 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol (CID 89032467) is 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol is Cc1[nH]nc(C(C)(C)O)c1F.
What is the InChIKey of 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol?
The InChIKey is AKDJQDJOHDRWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c1-4-5(8)6(10-9-4)7(2,3)11/h11H,1-3H3,(H,9,10).
What are the key properties of 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol?
2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol has a molecular weight of 158.18 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 89032467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).