N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride

C18H26Cl2N4O — CID 119639884

IUPACN-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCC(N)(CC)CC)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H25ClN4O.ClH/c1-4-16-15(17(24)21-12-18(20,5-2)6-3)11-22-23(16)14-9-7-8-13(19)10-14;/h7-11H,4-6,12,20H2,1-3H3,(H,21,24);1H
InChIKeyPMXOGDZOAFYWFZ-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.76
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119639884) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
PubChem CID119639884
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC NameN-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride
SMILESCCc1c(C(=O)NCC(N)(CC)CC)cnn1-c1cccc(Cl)c1.Cl
InChIInChI=1S/C18H25ClN4O.ClH/c1-4-16-15(17(24)21-12-18(20,5-2)6-3)11-22-23(16)14-9-7-8-13(19)10-14;/h7-11H,4-6,12,20H2,1-3H3,(H,21,24);1H
InChIKeyPMXOGDZOAFYWFZ-UHFFFAOYSA-N
XLogP3.76
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride 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

1-(3-chlorophenyl)-N-(cyanomethyl)-5-ethylpyrazole-4-carboxamide
CID 52832765
1-(3-chlorophenyl)-5-ethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrazole-4-carboxamide
CID 46589414
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
1-(3-chlorophenyl)-5-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 31900386
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
N-butan-2-yl-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46671572
1-(3-chlorophenyl)-5-ethyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39562340
(2R)-2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119244369
2-[[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 78852602
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 31884775
1-(3-chlorophenyl)-5-ethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 46589327
1-(3-chlorophenyl)-5-ethyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55596234

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride (CID 119639884) is N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride is CCc1c(C(=O)NCC(N)(CC)CC)cnn1-c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is PMXOGDZOAFYWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O.ClH/c1-4-16-15(17(24)21-12-18(20,5-2)6-3)11-22-23(16)14-9-7-8-13(19)10-14;/h7-11H,4-6,12,20H2,1-3H3,(H,21,24);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119639884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).