N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide

C17H18N6O4 — CID 4917202

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1c(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H18N6O4/c1-11-15(17(25)22(20(11)3)13-7-5-4-6-8-13)19-16(24)12(2)21-10-14(9-18-21)23(26)27/h4-10,12H,1-3H3,(H,19,24)
InChIKeyOBLLYLITZUODKZ-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.79
Rot. Bonds5

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide (PubChem CID 4917202) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide
PubChem CID4917202
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide
SMILESCc1c(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H18N6O4/c1-11-15(17(25)22(20(11)3)13-7-5-4-6-8-13)19-16(24)12(2)21-10-14(9-18-21)23(26)27/h4-10,12H,1-3H3,(H,19,24)
InChIKeyOBLLYLITZUODKZ-UHFFFAOYSA-N
XLogP1.79
TPSA116.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide 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-methyl-4-nitro-N-phenyl-1H-pyrazole-5-carboxamide
CID 839983
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 4916148
N-benzyl-2-(4-nitropyrazol-1-yl)acetamide
CID 2983141
N-benzyl-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 4916308
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-3-pyridinylacetamide
CID 1257381
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-pyridin-4-ylacetamide
CID 831686
4-(4-nitro-1H-pyrazol-1-yl)-N-(1-phenylethyl)butanamide
CID 5296242
N-[4-(acetylamino)phenyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1257225
2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-pyridinylmethyl)acetamide
CID 1258199
N-[4-(acetylamino)phenyl]-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanamide
CID 2981181
1-[(4-nitro-1H-pyrazol-1-yl)acetyl]-4-phenylpiperazine
CID 2981386
N-(4-acetamidophenyl)-2-methyl-4-nitropyrazole-3-carboxamide
CID 3122367

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide (CID 4917202) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide is Cc1c(NC(=O)C(C)n2cc([N+](=O)[O-])cn2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide?
The InChIKey is OBLLYLITZUODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-11-15(17(25)22(20(11)3)13-7-5-4-6-8-13)19-16(24)12(2)21-10-14(9-18-21)23(26)27/h4-10,12H,1-3H3,(H,19,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide has a molecular weight of 370.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 4917202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).