5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C19H16F4N4O — CID 140862024

IUPAC5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2F)c1N
InChIInChI=1S/C19H16F4N4O/c1-10-5-3-4-6-15(10)27-17(24)16(11(2)26-27)18(28)25-14-8-7-12(9-13(14)20)19(21,22)23/h3-9H,24H2,1-2H3,(H,25,28)
InChIKeyDOTXQNKEDJNSMZ-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.48
Rot. Bonds3

About 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 140862024) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID140862024
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2F)c1N
InChIInChI=1S/C19H16F4N4O/c1-10-5-3-4-6-15(10)27-17(24)16(11(2)26-27)18(28)25-14-8-7-12(9-13(14)20)19(21,22)23/h3-9H,24H2,1-2H3,(H,25,28)
InChIKeyDOTXQNKEDJNSMZ-UHFFFAOYSA-N
XLogP4.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-chloro-2-fluorophenyl)-1-[2-(2-methoxyethoxy)phenyl]-3-methylpyrazole-4-carboxamide
CID 122640594
5-amino-1-(2-fluorophenyl)-3-methylpyrazole-4-carboxylic acid
CID 71044411
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924
5-amino-1-(2-fluoro-6-methoxyphenyl)-3-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 122640471
5-amino-1-(4-fluoro-2-methylphenyl)-3-methylpyrazole-4-carboxylic acid
CID 153408760
N-[2-amino-4-(trifluoromethyl)phenyl]benzamide
CID 16775395
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 1052142
5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862034
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-fluoro-6-methylphenyl)-3-methylpyrazole-4-carboxamide
CID 122640425
N-(2-fluorophenyl)-6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 27825520

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 140862024) is 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1nc(C)c(C(=O)Nc2ccc(C(F)(F)F)cc2F)c1N.
What is the InChIKey of 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is DOTXQNKEDJNSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c1-10-5-3-4-6-15(10)27-17(24)16(11(2)26-27)18(28)25-14-8-7-12(9-13(14)20)19(21,22)23/h3-9H,24H2,1-2H3,(H,25,28).
What are the key properties of 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 392.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 140862024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).