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

C11H9FN2O — CID 71055593

IUPAC(4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone
SMILESCc1[nH]nc(C(=O)c2ccccc2)c1F
InChIInChI=1S/C11H9FN2O/c1-7-9(12)10(14-13-7)11(15)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyPWJPOHZCYMJJBI-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.09
Rot. Bonds2

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

(4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone (PubChem CID 71055593) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is (4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone
PubChem CID71055593
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name(4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone
SMILESCc1[nH]nc(C(=O)c2ccccc2)c1F
InChIInChI=1S/C11H9FN2O/c1-7-9(12)10(14-13-7)11(15)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)
InChIKeyPWJPOHZCYMJJBI-UHFFFAOYSA-N
XLogP2.09
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-5-methyl-1H-pyrazole-3-carboxylic acid
CID 82472519
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
(4-fluorophenyl)-phenylmethanone
CID 161464622
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
4-fluoro-5-methyl-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 130619260
(3-methyl-5,6,7,8-tetrahydroquinoxalin-2-yl)-phenylmethanone
CID 619716
5-methyl-4-(2-methylphenyl)-1H-pyrazole-3-carboxylic acid
CID 82471436
(4-benzoylphthalazin-1-yl)-phenylmethanone
CID 21134746
(4-fluoro-1H-pyrazol-5-yl)-phenylmethanone
CID 135008243
N-(benzhydrylideneamino)-5-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 60615257

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone?
The IUPAC name of (4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone (CID 71055593) is (4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone.
What is the SMILES notation for (4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone?
The canonical SMILES for (4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone is Cc1[nH]nc(C(=O)c2ccccc2)c1F.
What is the InChIKey of (4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone?
The InChIKey is PWJPOHZCYMJJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-7-9(12)10(14-13-7)11(15)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14).
What are the key properties of (4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone?
(4-fluoro-5-methyl-1H-pyrazol-3-yl)-phenylmethanone has a molecular weight of 204.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 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)-phenylmethanone is sourced from PubChem (CID 71055593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).