N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide

C13H12FN3O2 — CID 75484643

IUPACN-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCC(=O)c1ccc(F)cc1NC(=O)c1ccnn1C
InChIInChI=1S/C13H12FN3O2/c1-8(18)10-4-3-9(14)7-11(10)16-13(19)12-5-6-15-17(12)2/h3-7H,1-2H3,(H,16,19)
InChIKeyZLMGETDNGMQQEV-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.01
Rot. Bonds3

About N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide

N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 75484643) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID75484643
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC NameN-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide
SMILESCC(=O)c1ccc(F)cc1NC(=O)c1ccnn1C
InChIInChI=1S/C13H12FN3O2/c1-8(18)10-4-3-9(14)7-11(10)16-13(19)12-5-6-15-17(12)2/h3-7H,1-2H3,(H,16,19)
InChIKeyZLMGETDNGMQQEV-UHFFFAOYSA-N
XLogP2.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 55178289
2,4-difluoro-5-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 60829589
4-methoxy-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 110467173
N-[2-fluoro-4-(6-fluoroquinolin-2-yl)phenyl]-2-methylpyrazole-3-carboxamide
CID 137425596
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(2-acetyl-5-fluorophenyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 86788434
N-(2,6-difluorophenyl)-2-methylpyrazole-3-carboxamide
CID 110467115
N-(2,4-dibromophenyl)-2-methylpyrazole-3-carboxamide
CID 47083946
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide (CID 75484643) is N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide is CC(=O)c1ccc(F)cc1NC(=O)c1ccnn1C.
What is the InChIKey of N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is ZLMGETDNGMQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-8(18)10-4-3-9(14)7-11(10)16-13(19)12-5-6-15-17(12)2/h3-7H,1-2H3,(H,16,19).
What are the key properties of N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide?
N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 261.26 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-fluorophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 75484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).