N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

C22H22N6O2S — CID 31991225

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C22H22N6O2S/c1-5-18-16(11-23-28(18)19-8-9-20(30-4)27-26-19)21(29)25-22-24-17(12-31-22)15-7-6-13(2)14(3)10-15/h6-12H,5H2,1-4H3,(H,24,25,29)
InChIKeyNZYQTIRSMHVKKF-UHFFFAOYSA-N
MW434.53 g/mol
LogP4.23
Rot. Bonds6

About N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 31991225) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID31991225
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C22H22N6O2S/c1-5-18-16(11-23-28(18)19-8-9-20(30-4)27-26-19)21(29)25-22-24-17(12-31-22)15-7-6-13(2)14(3)10-15/h6-12H,5H2,1-4H3,(H,24,25,29)
InChIKeyNZYQTIRSMHVKKF-UHFFFAOYSA-N
XLogP4.23
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-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-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 112821652
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31911009
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
CID 31886760
2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32936510
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide
CID 43018416
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
2-N,6-N-bis[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 4653670
5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46589301
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 8780720

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (CID 31991225) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cnn1-c1ccc(OC)nn1.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is NZYQTIRSMHVKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-5-18-16(11-23-28(18)19-8-9-20(30-4)27-26-19)21(29)25-22-24-17(12-31-22)15-7-6-13(2)14(3)10-15/h6-12H,5H2,1-4H3,(H,24,25,29).
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 434.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 31991225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).