N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

C19H16Cl2N4O2 — CID 1184922

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C19H16Cl2N4O2/c1-2-27-15-7-4-12(5-8-15)17-10-18(24-23-17)19(26)25-22-11-13-3-6-14(20)9-16(13)21/h3-11H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyPZAGUQLPWDYYLA-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.55
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide

N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 1184922) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID1184922
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(Cl)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C19H16Cl2N4O2/c1-2-27-15-7-4-12(5-8-15)17-10-18(24-23-17)19(26)25-22-11-13-3-6-14(20)9-16(13)21/h3-11H,2H2,1H3,(H,23,24)(H,25,26)
InChIKeyPZAGUQLPWDYYLA-UHFFFAOYSA-N
XLogP4.55
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891280
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 6888557
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6263980
3-(4-chlorophenyl)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5457432
3-(4-ethoxyphenyl)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5450226
N-[(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4297115
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128451
3-(4-ethoxyphenyl)-N-[(4-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5076714
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5450220
N-[(E)-(4-butoxyphenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6888957
N-[(E)-(2-ethoxyphenyl)methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6890693
methyl 4-[(E)-[[3-(4-ethoxyphenyl)-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 5342768

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 1184922) is N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2cc(C(=O)NN=Cc3ccc(Cl)cc3Cl)[nH]n2)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PZAGUQLPWDYYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-2-27-15-7-4-12(5-8-15)17-10-18(24-23-17)19(26)25-22-11-13-3-6-14(20)9-16(13)21/h3-11H,2H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 403.27 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 1184922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).