N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide

C24H23N5O — CID 57328815

IUPACN,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc(N)cc3)n2)c1C
InChIInChI=1S/C24H23N5O/c1-15-4-3-5-21(16(15)2)22-14-23(24(30)27-19-10-6-17(25)7-11-19)29(28-22)20-12-8-18(26)9-13-20/h3-14H,25-26H2,1-2H3,(H,27,30)
InChIKeyAQLRYQWBQKXTHV-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.57
Rot. Bonds4

About N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide

N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide (PubChem CID 57328815) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide
PubChem CID57328815
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc(N)cc3)n2)c1C
InChIInChI=1S/C24H23N5O/c1-15-4-3-5-21(16(15)2)22-14-23(24(30)27-19-10-6-17(25)7-11-19)29(28-22)20-12-8-18(26)9-13-20/h3-14H,25-26H2,1-2H3,(H,27,30)
InChIKeyAQLRYQWBQKXTHV-UHFFFAOYSA-N
XLogP4.57
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide (CID 57328815) is N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccc(N)cc3)n(-c3ccc(N)cc3)n2)c1C.
What is the InChIKey of N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide?
The InChIKey is AQLRYQWBQKXTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-15-4-3-5-21(16(15)2)22-14-23(24(30)27-19-10-6-17(25)7-11-19)29(28-22)20-12-8-18(26)9-13-20/h3-14H,25-26H2,1-2H3,(H,27,30).
What are the key properties of N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide?
N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-aminophenyl)-3-(2,3-dimethylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57328815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).