1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide

C24H27N7O — CID 143368612

IUPAC1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2c(C)c(C(=O)NCCCc3nn[nH]n3)nn2-c2ccc(C)cc2C)cc1
InChIInChI=1S/C24H27N7O/c1-15-7-10-19(11-8-15)23-18(4)22(24(32)25-13-5-6-21-26-29-30-27-21)28-31(23)20-12-9-16(2)14-17(20)3/h7-12,14H,5-6,13H2,1-4H3,(H,25,32)(H,26,27,29,30)
InChIKeyXJGNMDLZAHGWJG-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.65
Rot. Bonds7

About 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide

1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (PubChem CID 143368612) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
PubChem CID143368612
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccc(-c2c(C)c(C(=O)NCCCc3nn[nH]n3)nn2-c2ccc(C)cc2C)cc1
InChIInChI=1S/C24H27N7O/c1-15-7-10-19(11-8-15)23-18(4)22(24(32)25-13-5-6-21-26-29-30-27-21)28-31(23)20-12-9-16(2)14-17(20)3/h7-12,14H,5-6,13H2,1-4H3,(H,25,32)(H,26,27,29,30)
InChIKeyXJGNMDLZAHGWJG-UHFFFAOYSA-N
XLogP3.65
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-4-methyl-1-(3-sulfamoylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 91066443
5-(4-chlorophenyl)-4-methyl-1-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 12002628
5-[[1-(4-chloro-2-methylphenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]pentanoic acid
CID 24748077
1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone
CID 168890623
N-[3-(2-adamantyl)propyl]-5-(4-chlorophenyl)-1-(2,4-dimethylphenyl)-4-methylpyrazole-3-carboxamide
CID 163482234
3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
CID 28737366
5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
CID 71855698
N-butyl-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 11102177
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(3-hydroxypropyl)-4-methylpyrazole-3-carboxamide
CID 10884669
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-hexadecyl-4-methylpyrazole-3-carboxamide
CID 44588401
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[3-(diethylamino)propyl]-4-methylpyrazole-3-carboxamide
CID 129010774
1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbohydrazide
CID 59703686

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (CID 143368612) is 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is Cc1ccc(-c2c(C)c(C(=O)NCCCc3nn[nH]n3)nn2-c2ccc(C)cc2C)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is XJGNMDLZAHGWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-15-7-10-19(11-8-15)23-18(4)22(24(32)25-13-5-6-21-26-29-30-27-21)28-31(23)20-12-9-16(2)14-17(20)3/h7-12,14H,5-6,13H2,1-4H3,(H,25,32)(H,26,27,29,30).
What are the key properties of 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 143368612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).