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

C20H19Cl2N3O — CID 19510016

IUPAC3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(C)cc1
InChIInChI=1S/C20H19Cl2N3O/c1-3-17(13-6-4-12(2)5-7-13)23-20(26)19-11-18(24-25-19)15-9-8-14(21)10-16(15)22/h4-11,17H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPXWOAGBNDIHUFS-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.57
Rot. Bonds5

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

3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 19510016) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID19510016
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(C)cc1
InChIInChI=1S/C20H19Cl2N3O/c1-3-17(13-6-4-12(2)5-7-13)23-20(26)19-11-18(24-25-19)15-9-8-14(21)10-16(15)22/h4-11,17H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyPXWOAGBNDIHUFS-UHFFFAOYSA-N
XLogP5.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-butan-2-ylphenyl)propyl]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510017
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
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
3-(2,4-dichlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19284710
3-(2,4-dichlorophenyl)-N-[2-(difluoromethoxy)-5-methylphenyl]-1H-pyrazole-5-carboxamide
CID 19510088
2-(2,5-dichlorophenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328353
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
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
ethyl (3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7310541
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide (CID 19510016) is 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide is CCC(NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccc(C)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is PXWOAGBNDIHUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-3-17(13-6-4-12(2)5-7-13)23-20(26)19-11-18(24-25-19)15-9-8-14(21)10-16(15)22/h4-11,17H,3H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 388.30 g/mol, XLogP of 5.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[1-(4-methylphenyl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).