N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide

C18H17ClFN3O — CID 171985283

IUPACN-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O/c1-12-10-11-23(18(24)21-16-8-4-14(19)5-9-16)22-17(12)13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyMUSVWFYGIGDDLN-UHFFFAOYSA-N
MW345.81 g/mol
LogP4.76
Rot. Bonds2

About N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide

N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide (PubChem CID 171985283) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide
PubChem CID171985283
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC NameN-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(F)cc1
InChIInChI=1S/C18H17ClFN3O/c1-12-10-11-23(18(24)21-16-8-4-14(19)5-9-16)22-17(12)13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyMUSVWFYGIGDDLN-UHFFFAOYSA-N
XLogP4.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-chlorophenyl)-4-methyl-N-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 18980998
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenoxy)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277283
4,5-bis(4-chlorophenyl)-N-[4-(4-fluorophenyl)sulfanylphenyl]-3,4-dihydropyrazole-2-carboxamide
CID 14277336
N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
6-(4-fluorophenyl)-5-phenyl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyridazine-2-carboxamide
CID 134116944
ethyl 5-(4-chlorophenyl)-2-[(4-chlorophenyl)carbamoyl]-3,4-dihydropyrazole-4-carboxylate
CID 19852683
5-(4-chlorophenyl)-N-[4-(difluoromethoxy)phenyl]-4-phenyl-3,4-dihydropyrazole-2-carboxamide;N-(4-chlorophenyl)-4-methyl-5-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 161046518
5-(4-chlorophenyl)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277380
5-(4-chlorophenyl)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 14277348
N,5-bis(4-chlorophenyl)-4-[2-(diethylamino)ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 14278894
5-(4-anilinophenyl)-N-(4-fluorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 14256918
N-[4-(4-chlorophenoxy)phenyl]-5-(2-fluorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 21294628

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide (CID 171985283) is N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide is CC1CCN(C(=O)Nc2ccc(Cl)cc2)N=C1c1ccc(F)cc1.
What is the InChIKey of N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide?
The InChIKey is MUSVWFYGIGDDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-12-10-11-23(18(24)21-16-8-4-14(19)5-9-16)22-17(12)13-2-6-15(20)7-3-13/h2-9,12H,10-11H2,1H3,(H,21,24).
What are the key properties of N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide?
N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide has a molecular weight of 345.81 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(4-fluorophenyl)-5-methyl-4,5-dihydro-3H-pyridazine-2-carboxamide is sourced from PubChem (CID 171985283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).