4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C18H16ClN5O2 — CID 127031215

IUPAC4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C18H16ClN5O2/c1-26-14-8-2-11(3-9-14)10-21-24-18(25)17-15(20)16(22-23-17)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3,(H,22,23)(H,24,25)/b21-10+
InChIKeyUDLHJVARSXNYBN-UFFVCSGVSA-N
MW369.81 g/mol
LogP3.08
Rot. Bonds5

About 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 127031215) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID127031215
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)cc1
InChIInChI=1S/C18H16ClN5O2/c1-26-14-8-2-11(3-9-14)10-21-24-18(25)17-15(20)16(22-23-17)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3,(H,22,23)(H,24,25)/b21-10+
InChIKeyUDLHJVARSXNYBN-UFFVCSGVSA-N
XLogP3.08
TPSA105.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 127031215) is 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is COc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2N)cc1.
What is the InChIKey of 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is UDLHJVARSXNYBN-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-26-14-8-2-11(3-9-14)10-21-24-18(25)17-15(20)16(22-23-17)12-4-6-13(19)7-5-12/h2-10H,20H2,1H3,(H,22,23)(H,24,25)/b21-10+.
What are the key properties of 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 127031215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).