N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine

C22H19N5 — CID 56930883

IUPACN-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine
SMILESCc1ccc(-n2cc(/C=N/Nc3ccncc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H19N5/c1-17-7-9-21(10-8-17)27-16-19(15-24-25-20-11-13-23-14-12-20)22(26-27)18-5-3-2-4-6-18/h2-16H,1H3,(H,23,25)/b24-15+
InChIKeyUGZSNFGNODEURV-BUVRLJJBSA-N
MW353.43 g/mol
LogP4.69
Rot. Bonds5

About N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine

N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine (PubChem CID 56930883) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine.

Molecular Properties

Compound NameN-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine
PubChem CID56930883
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine
SMILESCc1ccc(-n2cc(/C=N/Nc3ccncc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H19N5/c1-17-7-9-21(10-8-17)27-16-19(15-24-25-20-11-13-23-14-12-20)22(26-27)18-5-3-2-4-6-18/h2-16H,1H3,(H,23,25)/b24-15+
InChIKeyUGZSNFGNODEURV-BUVRLJJBSA-N
XLogP4.69
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine?
The IUPAC name of N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine (CID 56930883) is N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine.
What is the SMILES notation for N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine?
The canonical SMILES for N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine is Cc1ccc(-n2cc(/C=N/Nc3ccncc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine?
The InChIKey is UGZSNFGNODEURV-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H19N5/c1-17-7-9-21(10-8-17)27-16-19(15-24-25-20-11-13-23-14-12-20)22(26-27)18-5-3-2-4-6-18/h2-16H,1H3,(H,23,25)/b24-15+.
What are the key properties of N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine?
N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridin-4-amine is sourced from PubChem (CID 56930883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).