(4-fluoro-1H-pyrazol-5-yl)-phenylmethanone

C10H7FN2O — CID 135008243

IUPAC(4-fluoro-1H-pyrazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1[nH]ncc1F
InChIInChI=1S/C10H7FN2O/c11-8-6-12-13-9(8)10(14)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyJYAVJUDCEUCHAQ-UHFFFAOYSA-N
MW190.18 g/mol
LogP1.78
Rot. Bonds2

About (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone

(4-fluoro-1H-pyrazol-5-yl)-phenylmethanone (PubChem CID 135008243) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-fluoro-1H-pyrazol-5-yl)-phenylmethanone
PubChem CID135008243
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name(4-fluoro-1H-pyrazol-5-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1[nH]ncc1F
InChIInChI=1S/C10H7FN2O/c11-8-6-12-13-9(8)10(14)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyJYAVJUDCEUCHAQ-UHFFFAOYSA-N
XLogP1.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(4-fluoro-1H-pyrazol-5-yl)methanone
CID 135008562
(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone
CID 135053389
(4-fluorophenyl)-phenylmethanone
CID 161464622
diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 171985656
(4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone
CID 71055593
4-benzoyl-2H-1,2,4-triazine-3,5-dione
CID 12850111
diphenylmethanone;4-fluoroaniline
CID 174706224

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone?
The IUPAC name of (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone (CID 135008243) is (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone.
What is the SMILES notation for (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone?
The canonical SMILES for (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone is O=C(c1ccccc1)c1[nH]ncc1F.
What is the InChIKey of (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone?
The InChIKey is JYAVJUDCEUCHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-8-6-12-13-9(8)10(14)7-4-2-1-3-5-7/h1-6H,(H,12,13).
What are the key properties of (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone?
(4-fluoro-1H-pyrazol-5-yl)-phenylmethanone has a molecular weight of 190.18 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-pyrazol-5-yl)-phenylmethanone is sourced from PubChem (CID 135008243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).