N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide

C16H12F3N5O — CID 123146301

IUPACN-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)nn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12F3N5O/c1-10-7-13(22-15(25)11-3-2-6-20-8-11)23-24(10)14-5-4-12(9-21-14)16(17,18)19/h2-9H,1H3,(H,22,23,25)
InChIKeyJQVUDSVAKQMZMR-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.24
Rot. Bonds3

About N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide

N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 123146301) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID123146301
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC NameN-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2)nn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C16H12F3N5O/c1-10-7-13(22-15(25)11-3-2-6-20-8-11)23-24(10)14-5-4-12(9-21-14)16(17,18)19/h2-9H,1H3,(H,22,23,25)
InChIKeyJQVUDSVAKQMZMR-UHFFFAOYSA-N
XLogP3.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methylsulfonyl-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 171502365
N-[2-amino-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 3042222
N-[2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 23122623
4-tert-butyl-N-(5-methyl-1-phenylpyrazol-3-yl)benzamide
CID 46107065
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
imidazo[1,5-a]pyrazine;N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 157412726
N-(3-acetamidophenyl)-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39038518
N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25481374
N-[5-(5-methyl-3-pyridin-3-ylpyrazol-1-yl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 129255074
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide (CID 123146301) is N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2)nn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is JQVUDSVAKQMZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c1-10-7-13(22-15(25)11-3-2-6-20-8-11)23-24(10)14-5-4-12(9-21-14)16(17,18)19/h2-9H,1H3,(H,22,23,25).
What are the key properties of N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide?
N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 347.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 123146301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).