N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide

C19H18N4O3 — CID 1226002

IUPACN-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C19H18N4O3/c1-2-15-5-3-4-6-18(15)21-19(24)16-9-7-14(8-10-16)12-22-13-17(11-20-22)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyNUVRWHCHTRENPI-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.65
Rot. Bonds6

About N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide

N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide (PubChem CID 1226002) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
PubChem CID1226002
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C19H18N4O3/c1-2-15-5-3-4-6-18(15)21-19(24)16-9-7-14(8-10-16)12-22-13-17(11-20-22)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24)
InChIKeyNUVRWHCHTRENPI-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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-benzyl-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 677126
1-methyl-N-(2-methylphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 920251
1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole
CID 674641
1-benzoyl-4-nitro-1H-pyrazole
CID 674651
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723779
2-methyl-4-nitro-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 712435
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
CID 842455
4-nitro-1-methyl-N-[4-(piperidin-1-ylcarbonyl)phenyl]-1H-pyrazole-3-carboxamide
CID 1223865
N-[1-(2,6-dichlorobenzyl)-1H-pyrazol-4-yl]-4-nitrobenzamide
CID 1225458
N-[1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-4-nitrobenzamide
CID 1225528
1-ethyl-4-nitro-N-[4-(1-piperidinylcarbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 1225551
(2Z)-N,N-dimethyl-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-2-(phenylcarbonyl amino)prop-2-enamide
CID 1969340

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide (CID 1226002) is N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide is CCc1ccccc1NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
The InChIKey is NUVRWHCHTRENPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-15-5-3-4-6-18(15)21-19(24)16-9-7-14(8-10-16)12-22-13-17(11-20-22)23(25)26/h3-11,13H,2,12H2,1H3,(H,21,24).
What are the key properties of N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide?
N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 1226002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).