N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

C17H15ClFN5O2 — CID 31885461

IUPACN-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C17H15ClFN5O2/c1-3-14-11(17(25)21-10-4-5-13(19)12(18)8-10)9-20-24(14)15-6-7-16(26-2)23-22-15/h4-9H,3H2,1-2H3,(H,21,25)
InChIKeyGCEAEOQBJCXRTH-UHFFFAOYSA-N
MW375.79 g/mol
LogP3.28
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (PubChem CID 31885461) has the molecular formula C17H15ClFN5O2 and a molecular weight of 375.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
PubChem CID31885461
Molecular FormulaC17H15ClFN5O2
Molecular Weight375.79 g/mol
Exact Mass375.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C17H15ClFN5O2/c1-3-14-11(17(25)21-10-4-5-13(19)12(18)8-10)9-20-24(14)15-6-7-16(26-2)23-22-15/h4-9H,3H2,1-2H3,(H,21,25)
InChIKeyGCEAEOQBJCXRTH-UHFFFAOYSA-N
XLogP3.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.79
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)-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-1-(6-methoxypyridazin-3-yl)-N-[(2R)-pentan-2-yl]pyrazole-4-carboxamide
CID 31886760
N-(3,4-dimethoxyphenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31900906
methyl 4-[[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carbonyl]amino]butanoate
CID 31855775
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31991225
5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 73254444
N-[4-chloro-3-(methylcarbamoyl)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55990233
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
1-(6-methoxypyridazin-3-yl)-N-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 86919850
N-(3-fluoro-5-methylphenyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 99700763
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 31903299
[5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazol-4-yl]-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31956930
1-(3-chloro-4-fluorophenyl)-3-[4-(6-methoxypyridazin-3-yl)phenyl]urea
CID 43991246

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide (CID 31885461) is N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnn1-c1ccc(OC)nn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
The InChIKey is GCEAEOQBJCXRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O2/c1-3-14-11(17(25)21-10-4-5-13(19)12(18)8-10)9-20-24(14)15-6-7-16(26-2)23-22-15/h4-9H,3H2,1-2H3,(H,21,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide has a molecular weight of 375.79 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-ethyl-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 31885461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).