N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide

C24H26N4O3 — CID 4292029

IUPACN-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C24H26N4O3/c1-16-8-13-22(17(2)14-16)27-23(24(29)25-19-6-4-3-5-7-19)15-21(26-27)18-9-11-20(12-10-18)28(30)31/h8-15,19H,3-7H2,1-2H3,(H,25,29)
InChIKeyCHVLXXMKMYNJDZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.13
Rot. Bonds5

About N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide

N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 4292029) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
PubChem CID4292029
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)NC2CCCCC2)c(C)c1
InChIInChI=1S/C24H26N4O3/c1-16-8-13-22(17(2)14-16)27-23(24(29)25-19-6-4-3-5-7-19)15-21(26-27)18-9-11-20(12-10-18)28(30)31/h8-15,19H,3-7H2,1-2H3,(H,25,29)
InChIKeyCHVLXXMKMYNJDZ-UHFFFAOYSA-N
XLogP5.13
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.13
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

N-tert-butyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3881945
N-cyclohexyl-3-(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3993041
N-butan-2-yl-1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3294656
N-cyclopropyl-1-(2,4-dimethylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812752
1-(2,5-dimethylphenyl)-N-(2-fluorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053304
N-cyclopropyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42759053
ethyl 1-[1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 3947040
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 42732971
N-cyclohexyl-3-(furan-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 1053894
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7289215
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide (CID 4292029) is N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccc([N+](=O)[O-])cc3)cc2C(=O)NC2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is CHVLXXMKMYNJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-16-8-13-22(17(2)14-16)27-23(24(29)25-19-6-4-3-5-7-19)15-21(26-27)18-9-11-20(12-10-18)28(30)31/h8-15,19H,3-7H2,1-2H3,(H,25,29).
What are the key properties of N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide?
N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4292029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).