3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C17H12Cl2N4O — CID 6877836

IUPAC3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C17H12Cl2N4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(24)23-20-10-12-3-1-2-4-14(12)19/h1-10H,(H,21,22)(H,23,24)/b20-10+
InChIKeyYXHSLGCSOSVDGT-KEBDBYFISA-N
MW359.22 g/mol
LogP4.15
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6877836) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6877836
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C17H12Cl2N4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(24)23-20-10-12-3-1-2-4-14(12)19/h1-10H,(H,21,22)(H,23,24)/b20-10+
InChIKeyYXHSLGCSOSVDGT-KEBDBYFISA-N
XLogP4.15
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 54.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 6877836) is 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is YXHSLGCSOSVDGT-KEBDBYFISA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c18-13-7-5-11(6-8-13)15-9-16(22-21-15)17(24)23-20-10-12-3-1-2-4-14(12)19/h1-10H,(H,21,22)(H,23,24)/b20-10+.
What are the key properties of 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 359.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(E)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6877836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).