N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

C16H16F3N3O — CID 170149216

IUPACN-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1C(C)C
InChIInChI=1S/C16H16F3N3O/c1-9(2)13-7-12(5-4-10(13)3)21-15(23)11-6-14(16(17,18)19)22-20-8-11/h4-9H,1-3H3,(H,21,23)
InChIKeyOLUOGZFHMMKWEJ-UHFFFAOYSA-N
MW323.32 g/mol
LogP4.18
Rot. Bonds3

About N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide

N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (PubChem CID 170149216) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
PubChem CID170149216
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC NameN-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1C(C)C
InChIInChI=1S/C16H16F3N3O/c1-9(2)13-7-12(5-4-10(13)3)21-15(23)11-6-14(16(17,18)19)22-20-8-11/h4-9H,1-3H3,(H,21,23)
InChIKeyOLUOGZFHMMKWEJ-UHFFFAOYSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 130404989
N-[4-methyl-3-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90461223
N-[3-[6-ethoxy-5-(oxan-4-yl)pyridazin-3-yl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 134609660
1-[6-(trifluoromethyl)pyridazin-4-yl]ethanone
CID 155216321
[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] N-[(Z)-2-amino-1-[amino(methyl)amino]-2-[5-[[6-(trifluoromethyl)pyridazine-4-carbonyl]amino]-2-pyridinyl]ethenyl]carbamate
CID 167358589
3-N-(3-bromo-4-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101453
N-(3-amino-4-methylphenyl)-3-hydroxy-5-(trifluoromethyl)benzamide
CID 143654172
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide
CID 90463098
N-[3-(diaminomethylideneamino)-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 11553181
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408534
N-[3-(2-chloro-6-fluoro-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168929406

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The IUPAC name of N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide (CID 170149216) is N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1C(C)C.
What is the InChIKey of N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
The InChIKey is OLUOGZFHMMKWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-9(2)13-7-12(5-4-10(13)3)21-15(23)11-6-14(16(17,18)19)22-20-8-11/h4-9H,1-3H3,(H,21,23).
What are the key properties of N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide?
N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide has a molecular weight of 323.32 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-propan-2-ylphenyl)-6-(trifluoromethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 170149216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).