N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C15H17N5O3 — CID 5403042

IUPACN-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N5O3/c1-9(2)13-8-14(18-17-13)15(21)19-16-10(3)11-4-6-12(7-5-11)20(22)23/h4-9H,1-3H3,(H,17,18)(H,19,21)/b16-10+
InChIKeyMXERTTLDXJMJOM-MHWRWJLKSA-N
MW315.33 g/mol
LogP2.60
Rot. Bonds5

About N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 5403042) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID5403042
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H17N5O3/c1-9(2)13-8-14(18-17-13)15(21)19-16-10(3)11-4-6-12(7-5-11)20(22)23/h4-9H,1-3H3,(H,17,18)(H,19,21)/b16-10+
InChIKeyMXERTTLDXJMJOM-MHWRWJLKSA-N
XLogP2.60
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.60
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'}

Analyze N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-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

N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 7098508
N-[1-(4-nitrophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 3836792
N-[(Z)-1-(4-nitrophenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6105906
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N-[(Z)-1-(4-iodophenyl)ethylideneamino]-4-nitrobenzamide
CID 9014822
3-(4-methoxyphenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1243305
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
5-(furan-2-yl)-N-[1-(3-nitrophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 4224828
N-[1-(3-nitrophenyl)ethylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 1185045

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 5403042) is N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is C/C(=N\NC(=O)c1cc(C(C)C)[nH]n1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MXERTTLDXJMJOM-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-9(2)13-8-14(18-17-13)15(21)19-16-10(3)11-4-6-12(7-5-11)20(22)23/h4-9H,1-3H3,(H,17,18)(H,19,21)/b16-10+.
What are the key properties of N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-nitrophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5403042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).