(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone

C13H13FN2O — CID 105096035

IUPAC(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C13H13FN2O/c1-8-4-5-12(14)10(6-8)13(17)11-7-15-16(3)9(11)2/h4-7H,1-3H3
InChIKeyNDNLBKINZJCSPW-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.41
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone

(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 105096035) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID105096035
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cnn(C)c2C)c1
InChIInChI=1S/C13H13FN2O/c1-8-4-5-12(14)10(6-8)13(17)11-7-15-16(3)9(11)2/h4-7H,1-3H3
InChIKeyNDNLBKINZJCSPW-UHFFFAOYSA-N
XLogP2.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115815019
(2,3-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 105101862
(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 102802735
2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105135709
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 105100479
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(2-fluoro-4-methylphenyl)-(3-methyltriazol-4-yl)methanone
CID 115806795
N-(2-bromo-5-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 82706059
(2-fluoro-5-methylphenyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanone
CID 112744468

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone (CID 105096035) is (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cnn(C)c2C)c1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is NDNLBKINZJCSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8-4-5-12(14)10(6-8)13(17)11-7-15-16(3)9(11)2/h4-7H,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone?
(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 232.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 105096035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).