N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C15H18N4O — CID 71951735

IUPACN-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(C(C)=NNC(=O)c2cc(C)[nH]n2)cc1
InChIInChI=1S/C15H18N4O/c1-4-12-5-7-13(8-6-12)11(3)17-19-15(20)14-9-10(2)16-18-14/h5-9H,4H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyJUADGAKEFNHROI-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.43
Rot. Bonds4

About N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 71951735) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID71951735
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(C(C)=NNC(=O)c2cc(C)[nH]n2)cc1
InChIInChI=1S/C15H18N4O/c1-4-12-5-7-13(8-6-12)11(3)17-19-15(20)14-9-10(2)16-18-14/h5-9H,4H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyJUADGAKEFNHROI-UHFFFAOYSA-N
XLogP2.43
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-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-hydroxyphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 828961
N-[1-[4-(dimethylamino)phenyl]ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 4284932
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5399764
3-(4-ethylphenyl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 136808343
3-(4-ethylphenyl)-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6044027
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
3-(4-ethylphenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686598
5-cyclopropyl-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 760934
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328
5-cyclopropyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 5424926
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-[1-(4-ethylphenyl)ethylideneamino]-4-methyl-3-nitrobenzamide
CID 840460

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 71951735) is N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is CCc1ccc(C(C)=NNC(=O)c2cc(C)[nH]n2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is JUADGAKEFNHROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-12-5-7-13(8-6-12)11(3)17-19-15(20)14-9-10(2)16-18-14/h5-9H,4H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71951735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).