N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide

C26H24N4O3 — CID 4264270

IUPACN,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nn2-c2cccc([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C26H24N4O3/c1-16-8-10-20(12-18(16)3)24-15-25(26(31)27-21-11-9-17(2)19(4)13-21)29(28-24)22-6-5-7-23(14-22)30(32)33/h5-15H,1-4H3,(H,27,31)
InChIKeyWERLCOUDRLBSNF-UHFFFAOYSA-N
MW440.50 g/mol
LogP5.93
Rot. Bonds5

About N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide

N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 4264270) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
PubChem CID4264270
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nn2-c2cccc([N+](=O)[O-])c2)cc1C
InChIInChI=1S/C26H24N4O3/c1-16-8-10-20(12-18(16)3)24-15-25(26(31)27-21-11-9-17(2)19(4)13-21)29(28-24)22-6-5-7-23(14-22)30(32)33/h5-15H,1-4H3,(H,27,31)
InChIKeyWERLCOUDRLBSNF-UHFFFAOYSA-N
XLogP5.93
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylphenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3541838
3-(3,4-dimethylphenyl)-N-ethoxy-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3893461
N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3993041
3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3977043
3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
CID 4015371
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4222475
N-butyl-3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3911082
3-(3,4-dimethylphenyl)-N-ethoxy-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 42758408
3-(3,4-dimethylphenyl)-N-(2-methylpropyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3989832
3-(3,4-dimethylphenyl)-1-(4-nitrophenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3958363
N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3271382

Frequently Asked Questions

What is the IUPAC name of N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (CID 4264270) is N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nn2-c2cccc([N+](=O)[O-])c2)cc1C.
What is the InChIKey of N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is WERLCOUDRLBSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-16-8-10-20(12-18(16)3)24-15-25(26(31)27-21-11-9-17(2)19(4)13-21)29(28-24)22-6-5-7-23(14-22)30(32)33/h5-15H,1-4H3,(H,27,31).
What are the key properties of N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 5.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4264270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).