N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C13H14FN3O — CID 113352500

IUPACN-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)n[nH]c2C)c1F
InChIInChI=1S/C13H14FN3O/c1-7-5-4-6-10(12(7)14)15-13(18)11-8(2)16-17-9(11)3/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeySDLFOVCUABHIPM-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.73
Rot. Bonds2

About N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 113352500) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID113352500
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)n[nH]c2C)c1F
InChIInChI=1S/C13H14FN3O/c1-7-5-4-6-10(12(7)14)15-13(18)11-8(2)16-17-9(11)3/h4-6H,1-3H3,(H,15,18)(H,16,17)
InChIKeySDLFOVCUABHIPM-UHFFFAOYSA-N
XLogP2.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 113352500) is N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1cccc(NC(=O)c2c(C)n[nH]c2C)c1F.
What is the InChIKey of N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is SDLFOVCUABHIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-7-5-4-6-10(12(7)14)15-13(18)11-8(2)16-17-9(11)3/h4-6H,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113352500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).