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

C18H15F3N4O — CID 58487503

IUPAC4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)nc2)cc1
InChIInChI=1S/C18H15F3N4O/c1-11-3-5-12(6-4-11)17(26)23-13-7-8-14(22-10-13)15-9-16(18(19,20)21)24-25(15)2/h3-10H,1-2H3,(H,23,26)
InChIKeyHCIGIQURAFISCD-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.06
Rot. Bonds3

About 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide

4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 58487503) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide
PubChem CID58487503
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)nc2)cc1
InChIInChI=1S/C18H15F3N4O/c1-11-3-5-12(6-4-11)17(26)23-13-7-8-14(22-10-13)15-9-16(18(19,20)21)24-25(15)2/h3-10H,1-2H3,(H,23,26)
InChIKeyHCIGIQURAFISCD-UHFFFAOYSA-N
XLogP4.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-fluoro-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487388
N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide
CID 58487174
6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 90184798
N-[(2,4-difluoro-6-methylphenyl)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-3-amine
CID 123448912
N-(4-acetylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477477
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5-propan-2-yloxypyridine
CID 70798101
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-chloro-N-[3-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 155398841
5-ethoxy-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
CID 91338292
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
4-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 174184894
2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide (CID 58487503) is 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cc(C(F)(F)F)nn3C)nc2)cc1.
What is the InChIKey of 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is HCIGIQURAFISCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-11-3-5-12(6-4-11)17(26)23-13-7-8-14(22-10-13)15-9-16(18(19,20)21)24-25(15)2/h3-10H,1-2H3,(H,23,26).
What are the key properties of 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide?
4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 360.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 58487503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).