N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide

C19H17N5O3 — CID 6862328

IUPACN-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1
InChIInChI=1S/C19H17N5O3/c1-2-13-6-8-14(9-7-13)12-20-23-19(25)18-11-17(21-22-18)15-4-3-5-16(10-15)24(26)27/h3-12H,2H2,1H3,(H,21,22)(H,23,25)/b20-12+
InChIKeyWELIOCHOKHAZSR-UDWIEESQSA-N
MW363.38 g/mol
LogP3.31
Rot. Bonds6

About N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide

N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 6862328) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
PubChem CID6862328
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1
InChIInChI=1S/C19H17N5O3/c1-2-13-6-8-14(9-7-13)12-20-23-19(25)18-11-17(21-22-18)15-4-3-5-16(10-15)24(26)27/h3-12H,2H2,1H3,(H,21,22)(H,23,25)/b20-12+
InChIKeyWELIOCHOKHAZSR-UDWIEESQSA-N
XLogP3.31
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Suprafenacine
CID 6861947
N'-(4-Isopropylbenzylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 6862315
3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
5-methyl-N'-(3-nitrobenzoyl)-1H-pyrazole-3-carbohydrazide
CID 4028568
5-methyl-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6884814
5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6888929
3-methyl-N'-(2-naphthylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9556881
5-Methyl-2H-pyrazole-3-carboxylic acid (1-biphenyl-4-yl-ethylidene)-hydrazide
CID 9592732
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]propanamide
CID 5957813
N'-Benzylidene-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 6867349
N'-[3-(2-nitrophenyl)-2-propen-1-ylidene]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 5344220
(Z)-N'-(1-(4-chlorophenyl)ethylidene)-3-(3-nitrophenyl)-1H-pyrazole-5-carbohydrazide
CID 5450497

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide (CID 6862328) is N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide is CCc1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1.
What is the InChIKey of N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WELIOCHOKHAZSR-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-2-13-6-8-14(9-7-13)12-20-23-19(25)18-11-17(21-22-18)15-4-3-5-16(10-15)24(26)27/h3-12H,2H2,1H3,(H,21,22)(H,23,25)/b20-12+.
What are the key properties of N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide?
N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethylphenyl)methylideneamino]-3-(3-nitrophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6862328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).