N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

C23H25Cl2N3O — CID 19510017

IUPACN-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1
InChIInChI=1S/C23H25Cl2N3O/c1-4-14(3)15-6-8-16(9-7-15)20(5-2)26-23(29)22-13-21(27-28-22)18-11-10-17(24)12-19(18)25/h6-14,20H,4-5H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyZNLSYMCYBGBLGX-UHFFFAOYSA-N
MW430.38 g/mol
LogP6.78
Rot. Bonds7

About N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide

N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19510017) has the molecular formula C23H25Cl2N3O and a molecular weight of 430.38 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19510017
Molecular FormulaC23H25Cl2N3O
Molecular Weight430.38 g/mol
Exact Mass429.14
IUPAC NameN-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
SMILESCCC(C)c1ccc(C(CC)NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1
InChIInChI=1S/C23H25Cl2N3O/c1-4-14(3)15-6-8-16(9-7-15)20(5-2)26-23(29)22-13-21(27-28-22)18-11-10-17(24)12-19(18)25/h6-14,20H,4-5H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyZNLSYMCYBGBLGX-UHFFFAOYSA-N
XLogP6.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-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

3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide
CID 19510016
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
3-(2,4-dichlorophenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-5-carboxamide
CID 91639398
3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 19510063
3-(2-chlorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-carboxamide
CID 110001692
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 78861611
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
N-[1-(4-butan-2-ylphenyl)propyl]-6-chloro-2-oxochromene-3-carboxamide
CID 4090791
N-[4-[(2R)-butan-2-yl]phenyl]-2,5-dichlorobenzamide
CID 966188
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 19510028
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 6083366
N-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479862

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide (CID 19510017) is N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is CCC(C)c1ccc(C(CC)NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is ZNLSYMCYBGBLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O/c1-4-14(3)15-6-8-16(9-7-15)20(5-2)26-23(29)22-13-21(27-28-22)18-11-10-17(24)12-19(18)25/h6-14,20H,4-5H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide?
N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 430.38 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).