2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide

C19H15F2N3O2 — CID 154196668

IUPAC2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide
SMILESCc1nn(C)c(NC(=O)c2ccccc2F)c1C(=O)c1ccccc1F
InChIInChI=1S/C19H15F2N3O2/c1-11-16(17(25)12-7-3-5-9-14(12)20)18(24(2)23-11)22-19(26)13-8-4-6-10-15(13)21/h3-10H,1-2H3,(H,22,26)
InChIKeyPKANZBQNLJMVLG-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.49
Rot. Bonds4

About 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide

2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide (PubChem CID 154196668) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide
PubChem CID154196668
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide
SMILESCc1nn(C)c(NC(=O)c2ccccc2F)c1C(=O)c1ccccc1F
InChIInChI=1S/C19H15F2N3O2/c1-11-16(17(25)12-7-3-5-9-14(12)20)18(24(2)23-11)22-19(26)13-8-4-6-10-15(13)21/h3-10H,1-2H3,(H,22,26)
InChIKeyPKANZBQNLJMVLG-UHFFFAOYSA-N
XLogP3.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
N-(4-amino-1,3-dimethylpyrazol-5-yl)-3-bromo-2-fluorobenzamide
CID 107948865
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-fluorobenzamide
CID 51275491
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-[3-(4-aminophenyl)-1-methylpyrazol-5-yl]-2-fluorobenzamide
CID 170346210
2-fluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]benzamide
CID 110716746
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222399
N-(3-bromo-2-methylphenyl)-2-fluorobenzamide
CID 66606524
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
2-fluoro-N-methylbenzamide;hydrate
CID 141303255
2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945041

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide (CID 154196668) is 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide is Cc1nn(C)c(NC(=O)c2ccccc2F)c1C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide?
The InChIKey is PKANZBQNLJMVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-11-16(17(25)12-7-3-5-9-14(12)20)18(24(2)23-11)22-19(26)13-8-4-6-10-15(13)21/h3-10H,1-2H3,(H,22,26).
What are the key properties of 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide?
2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide has a molecular weight of 355.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]benzamide is sourced from PubChem (CID 154196668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).