N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

C16H12F3N5O — CID 176705983

IUPACN-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1nn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)13-8-4-7-11(21-13)15(25)22-12-9-24(23-14(12)20)10-5-2-1-3-6-10/h1-9H,(H2,20,23)(H,22,25)
InChIKeyNCNRWFXNNLHCRE-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.12
Rot. Bonds3

About N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide

N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 176705983) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID176705983
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC NameN-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1nn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H12F3N5O/c17-16(18,19)13-8-4-7-11(21-13)15(25)22-12-9-24(23-14(12)20)10-5-2-1-3-6-10/h1-9H,(H2,20,23)(H,22,25)
InChIKeyNCNRWFXNNLHCRE-UHFFFAOYSA-N
XLogP3.12
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705662
N-(4-amino-1-phenylpyrrol-3-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705912
N-[6-(2-hydroxypropan-2-yl)-2-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 138727771
N-[2-(4-aminocyclohexyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 162721665
benzyl 2-[6-methoxy-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]acetate
CID 150212264
N-(2-cyclohexyl-6-pyrrolidin-1-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 167156302
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225
N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
CID 176705792
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155448858
N-[2-[2-(2-benzamidoethylamino)-2-oxoethyl]-6-chloroindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 134422929
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862
N-[6-hydroxy-2-(3-hydroxy-3-methylbutyl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 137199891

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide (CID 176705983) is N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is Nc1nn(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NCNRWFXNNLHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-16(18,19)13-8-4-7-11(21-13)15(25)22-12-9-24(23-14(12)20)10-5-2-1-3-6-10/h1-9H,(H2,20,23)(H,22,25).
What are the key properties of N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide?
N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 176705983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).