3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide

C19H18N4O3 — CID 19568070

IUPAC3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide
SMILESCc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O3/c1-14-18(23(25)26)13-20-22(14)12-11-19(24)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeySUXULNNBSIBKNI-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.80
Rot. Bonds6

About 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide

3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide (PubChem CID 19568070) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide
PubChem CID19568070
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide
SMILESCc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18N4O3/c1-14-18(23(25)26)13-20-22(14)12-11-19(24)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,21,24)
InChIKeySUXULNNBSIBKNI-UHFFFAOYSA-N
XLogP3.80
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.80
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-(5-methyl-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)propanamide
CID 19568122
N-(4-methyl-3,5-dinitrophenyl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19568150
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19568038
3-(5-methyl-4-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19568020
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19568021
N-(1-benzyl-5-methylpyrazol-3-yl)-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19337548
dimethyl 5-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]benzene-1,3-dicarboxylate
CID 19567985
1-methyl-4-[3-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxylic acid
CID 19406107
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19567995
N-[3-(4-chlorophenyl)sulfonyl-5-methoxyphenyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19568182
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19394634
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 4866924

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide?
The IUPAC name of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide (CID 19568070) is 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide.
What is the SMILES notation for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide?
The canonical SMILES for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide is Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide?
The InChIKey is SUXULNNBSIBKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-14-18(23(25)26)13-20-22(14)12-11-19(24)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,21,24).
What are the key properties of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide?
3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide has a molecular weight of 350.38 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(4-phenylphenyl)propanamide is sourced from PubChem (CID 19568070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).