2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine

C25H26N4O — CID 59129106

IUPAC2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine
SMILESCn1nc(-c2ccccc2)cc1Nc1cccnc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C25H26N4O/c1-25(2,3)19-13-8-9-15-22(19)30-24-20(14-10-16-26-24)27-23-17-21(28-29(23)4)18-11-6-5-7-12-18/h5-17,27H,1-4H3
InChIKeyJNFGRRINKFEFMR-UHFFFAOYSA-N
MW398.51 g/mol
LogP6.32
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine

2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine (PubChem CID 59129106) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine
PubChem CID59129106
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine
SMILESCn1nc(-c2ccccc2)cc1Nc1cccnc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C25H26N4O/c1-25(2,3)19-13-8-9-15-22(19)30-24-20(14-10-16-26-24)27-23-17-21(28-29(23)4)18-11-6-5-7-12-18/h5-17,27H,1-4H3
InChIKeyJNFGRRINKFEFMR-UHFFFAOYSA-N
XLogP6.32
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine (CID 59129106) is 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine is Cn1nc(-c2ccccc2)cc1Nc1cccnc1Oc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine?
The InChIKey is JNFGRRINKFEFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-25(2,3)19-13-8-9-15-22(19)30-24-20(14-10-16-26-24)27-23-17-21(28-29(23)4)18-11-6-5-7-12-18/h5-17,27H,1-4H3.
What are the key properties of 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine?
2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine has a molecular weight of 398.51 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(1-methyl-3-phenylpyrazol-5-yl)pyridin-3-amine is sourced from PubChem (CID 59129106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).