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

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Related Compounds

ethyl 1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxylate
CID 81497590
1-[4-fluoro-2-[(2-methylpropylamino)methyl]phenyl]pyrazole-4-carboxamide
CID 64781223
(1S)-1-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941315
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol
CID 63372226
1-[5-fluoro-2-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
CID 165479610
1-[2-(1-aminoethyl)-5-bromophenyl]pyrazole-4-carboxamide
CID 82976424
ethyl 1-[4-fluoro-2-(1-hydroxyethyl)-5-methylphenyl]pyrazole-4-carboxylate
CID 81494829
ethyl 1-[4-bromo-2-(1-hydroxyethyl)phenyl]pyrazole-4-carboxylate
CID 82970522
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanamine
CID 63369135
1-[2-[(1R)-1-aminopropyl]phenyl]pyrazole-4-carboxamide
CID 103959164
1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide
CID 64782907
(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 63372283

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).