N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

C25H19N5O — CID 135501767

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C25H19N5O/c31-25(30-27-16-20-15-26-22-9-5-4-8-21(20)22)24-14-23(28-29-24)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,26H,(H,28,29)(H,30,31)/b27-16+
InChIKeyUCQQKNCOQDDLSQ-JVWAILMASA-N
MW405.46 g/mol
LogP4.99
Rot. Bonds5

About N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135501767) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135501767
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1
InChIInChI=1S/C25H19N5O/c31-25(30-27-16-20-15-26-22-9-5-4-8-21(20)22)24-14-23(28-29-24)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,26H,(H,28,29)(H,30,31)/b27-16+
InChIKeyUCQQKNCOQDDLSQ-JVWAILMASA-N
XLogP4.99
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.99
H-Bond Donors ≤ 53
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 N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (CID 135501767) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is UCQQKNCOQDDLSQ-JVWAILMASA-N. The full InChI is InChI=1S/C25H19N5O/c31-25(30-27-16-20-15-26-22-9-5-4-8-21(20)22)24-14-23(28-29-24)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,26H,(H,28,29)(H,30,31)/b27-16+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135501767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).