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

C19H15N5O — CID 135521460

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H15N5O/c25-19(18-10-17(22-23-18)13-6-2-1-3-7-13)24-21-12-14-11-20-16-9-5-4-8-15(14)16/h1-12,20H,(H,22,23)(H,24,25)/b21-12+
InChIKeyNLHDKZVAHFTNKC-CIAFOILYSA-N
MW329.36 g/mol
LogP3.32
Rot. Bonds4

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

N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 135521460) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID135521460
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H15N5O/c25-19(18-10-17(22-23-18)13-6-2-1-3-7-13)24-21-12-14-11-20-16-9-5-4-8-15(14)16/h1-12,20H,(H,22,23)(H,24,25)/b21-12+
InChIKeyNLHDKZVAHFTNKC-CIAFOILYSA-N
XLogP3.32
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.32
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-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide (CID 135521460) is N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is NLHDKZVAHFTNKC-CIAFOILYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(18-10-17(22-23-18)13-6-2-1-3-7-13)24-21-12-14-11-20-16-9-5-4-8-15(14)16/h1-12,20H,(H,22,23)(H,24,25)/b21-12+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.32, 4 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-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135521460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).