N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

C12H12FN3O — CID 20918276

IUPACN-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(F)c2)n[nH]1
InChIInChI=1S/C12H12FN3O/c1-7-3-4-9(6-10(7)13)14-12(17)11-5-8(2)15-16-11/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyBEAMYJKXDIZLQQ-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.42
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide

N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 20918276) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID20918276
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(F)c2)n[nH]1
InChIInChI=1S/C12H12FN3O/c1-7-3-4-9(6-10(7)13)14-12(17)11-5-8(2)15-16-11/h3-6H,1-2H3,(H,14,17)(H,15,16)
InChIKeyBEAMYJKXDIZLQQ-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 20918276) is N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(F)c2)n[nH]1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is BEAMYJKXDIZLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-3-4-9(6-10(7)13)14-12(17)11-5-8(2)15-16-11/h3-6H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20918276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).