N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide

C19H22F3N3O2 — CID 8852109

IUPACN-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)CCC2=O)c1
InChIInChI=1S/C19H22F3N3O2/c1-12-4-3-5-15(10-12)25-17(26)9-8-16(23-25)18(27)24(11-19(20,21)22)13(2)14-6-7-14/h3-5,10,13-14H,6-9,11H2,1-2H3/t13-/m1/s1
InChIKeyHKBSWLLSQBRNCT-CYBMUJFWSA-N
MW381.40 g/mol
LogP3.67
Rot. Bonds5

About N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide

N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 8852109) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID8852109
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC NameN-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)CCC2=O)c1
InChIInChI=1S/C19H22F3N3O2/c1-12-4-3-5-15(10-12)25-17(26)9-8-16(23-25)18(27)24(11-19(20,21)22)13(2)14-6-7-14/h3-5,10,13-14H,6-9,11H2,1-2H3/t13-/m1/s1
InChIKeyHKBSWLLSQBRNCT-CYBMUJFWSA-N
XLogP3.67
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide (CID 8852109) is N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)N(CC(F)(F)F)[C@H](C)C3CC3)CCC2=O)c1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HKBSWLLSQBRNCT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-12-4-3-5-15(10-12)25-17(26)9-8-16(23-25)18(27)24(11-19(20,21)22)13(2)14-6-7-14/h3-5,10,13-14H,6-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide?
N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 8852109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).