1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide

C12H12FN3O2 — CID 64780258

IUPAC1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(O)c1cc(F)ccc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C12H12FN3O2/c1-7(17)10-4-9(13)2-3-11(10)16-6-8(5-15-16)12(14)18/h2-7,17H,1H3,(H2,14,18)
InChIKeyOUVMCMCUGMOIDC-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.16
Rot. Bonds3

About 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide

1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 64780258) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
PubChem CID64780258
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide
SMILESCC(O)c1cc(F)ccc1-n1cc(C(N)=O)cn1
InChIInChI=1S/C12H12FN3O2/c1-7(17)10-4-9(13)2-3-11(10)16-6-8(5-15-16)12(14)18/h2-7,17H,1H3,(H2,14,18)
InChIKeyOUVMCMCUGMOIDC-UHFFFAOYSA-N
XLogP1.16
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide (CID 64780258) is 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide is CC(O)c1cc(F)ccc1-n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is OUVMCMCUGMOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-7(17)10-4-9(13)2-3-11(10)16-6-8(5-15-16)12(14)18/h2-7,17H,1H3,(H2,14,18).
What are the key properties of 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide?
1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 249.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64780258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).