1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H16F3N5O2 — CID 55519076

IUPAC1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=NN(C)C(=O)CC2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H16F3N5O2/c1-10-8-14(21-16(27)13-6-7-15(26)24(2)23-13)25(22-10)12-5-3-4-11(9-12)17(18,19)20/h3-5,8-9H,6-7H2,1-2H3,(H,21,27)
InChIKeyQQIWZQURZMIWNI-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.75
Rot. Bonds3

About 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55519076) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55519076
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cc(NC(=O)C2=NN(C)C(=O)CC2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H16F3N5O2/c1-10-8-14(21-16(27)13-6-7-15(26)24(2)23-13)25(22-10)12-5-3-4-11(9-12)17(18,19)20/h3-5,8-9H,6-7H2,1-2H3,(H,21,27)
InChIKeyQQIWZQURZMIWNI-UHFFFAOYSA-N
XLogP2.75
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55519076) is 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cc(NC(=O)C2=NN(C)C(=O)CC2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QQIWZQURZMIWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-10-8-14(21-16(27)13-6-7-15(26)24(2)23-13)25(22-10)12-5-3-4-11(9-12)17(18,19)20/h3-5,8-9H,6-7H2,1-2H3,(H,21,27).
What are the key properties of 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55519076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).