N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide

C17H20N4O3 — CID 708088

IUPACN-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C17H20N4O3/c1-20-11-15(21(23)24)16(19-20)17(22)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,22)
InChIKeyULVXDYPPPUOAAO-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.63
Rot. Bonds4

About N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide

N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 708088) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
PubChem CID708088
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1
InChIInChI=1S/C17H20N4O3/c1-20-11-15(21(23)24)16(19-20)17(22)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,22)
InChIKeyULVXDYPPPUOAAO-UHFFFAOYSA-N
XLogP3.63
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.63
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'}

Analyze N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-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

1-({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)-1,2,3,4-tetrahydroquinoline
CID 544950
N-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 677126
1-methyl-N-(2-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 920251
N-(3,4-dimethylphenyl)-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1084302
2-methyl-4-nitro-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 712435
N-(3,4-dimethylphenyl)-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747514
N-benzyl-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 747520
1-methyl-4-nitro-N-phenyl-1H-pyrazole-5-carboxamide
CID 839983
1-methyl-4-{[(E)-(2-nitrophenyl)methylidene]amino}-1H-pyrazole-5-carboxamide
CID 1915318
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 2235553
N-{4-[N-({4-nitro-1,3-dimethyl-1H-pyrazol-5-yl}carbonyl)ethanehydrazonoyl]phenyl}cyclopentanecarboxamide
CID 5433119
1,5-dimethyl-N-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carboxamide
CID 841163

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide (CID 708088) is N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C3CCCCC3)cc2)n1.
What is the InChIKey of N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is ULVXDYPPPUOAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-11-15(21(23)24)16(19-20)17(22)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H,18,22).
What are the key properties of N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide?
N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 708088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).