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

C19H14ClN5O — CID 135519138

IUPAC3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C19H14ClN5O/c20-14-7-5-12(6-8-14)17-9-18(24-23-17)19(26)25-22-11-13-10-21-16-4-2-1-3-15(13)16/h1-11,21H,(H,23,24)(H,25,26)/b22-11+
InChIKeyFPRBAWWIIFCNIV-SSDVNMTOSA-N
MW363.81 g/mol
LogP3.98
Rot. Bonds4

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

3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 135519138) has the molecular formula C19H14ClN5O and a molecular weight of 363.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID135519138
Molecular FormulaC19H14ClN5O
Molecular Weight363.81 g/mol
Exact Mass363.09
IUPAC Name3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C19H14ClN5O/c20-14-7-5-12(6-8-14)17-9-18(24-23-17)19(26)25-22-11-13-10-21-16-4-2-1-3-15(13)16/h1-11,21H,(H,23,24)(H,25,26)/b22-11+
InChIKeyFPRBAWWIIFCNIV-SSDVNMTOSA-N
XLogP3.98
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.98
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 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 135519138) is 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is FPRBAWWIIFCNIV-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H14ClN5O/c20-14-7-5-12(6-8-14)17-9-18(24-23-17)19(26)25-22-11-13-10-21-16-4-2-1-3-15(13)16/h1-11,21H,(H,23,24)(H,25,26)/b22-11+.
What are the key properties of 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135519138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).