N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide

C17H14F3N5O — CID 58486832

IUPACN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N
InChIInChI=1S/C17H14F3N5O/c1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h2-9H,1H3,(H3,21,22,23,26)
InChIKeyMLGWGHUFCBHMNM-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.34
Rot. Bonds3

About N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide

N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 58486832) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
PubChem CID58486832
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC NameN-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N
InChIInChI=1S/C17H14F3N5O/c1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h2-9H,1H3,(H3,21,22,23,26)
InChIKeyMLGWGHUFCBHMNM-UHFFFAOYSA-N
XLogP3.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(dihydroxyamino)benzamide
CID 153188718
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxybenzamide
CID 58487164
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,4,5-trifluoro-3-methoxybenzamide
CID 88885243
N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487174
6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
CID 71105505
3-amino-N-(1-benzofuran-2-yl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 54596347
1-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-(3-methylphenyl)ethanone
CID 58487080
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-(1-hydroxyethenyl)benzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
CID 159513649
3-[[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamoyl]benzoic acid;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-hydroxybenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2-methoxyacetamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]prop-2-enamide;2-(2-chlorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone;2-(2,6-difluorophenyl)-1-[3-methoxy-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]ethanone
CID 160692167
2-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 175826085
N-[6-amino-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]-4-methylbenzamide
CID 58487028

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide (CID 58486832) is N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide is Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2)nc1N.
What is the InChIKey of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is MLGWGHUFCBHMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-25-12(9-13(24-25)17(18,19)20)11-7-8-14(22-15(11)21)23-16(26)10-5-3-2-4-6-10/h2-9H,1H3,(H3,21,22,23,26).
What are the key properties of N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide?
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 361.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 58486832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).