4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine

C24H24N4 — CID 18676116

IUPAC4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(-n2nc(C)cc2-c2ccnc(NCc3ccccc3C)c2)c1
InChIInChI=1S/C24H24N4/c1-17-7-6-10-22(13-17)28-23(14-19(3)27-28)20-11-12-25-24(15-20)26-16-21-9-5-4-8-18(21)2/h4-15H,16H2,1-3H3,(H,25,26)
InChIKeyGNFMTXBTBLJPDP-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.47
Rot. Bonds5

About 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine

4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine (PubChem CID 18676116) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine
PubChem CID18676116
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine
SMILESCc1cccc(-n2nc(C)cc2-c2ccnc(NCc3ccccc3C)c2)c1
InChIInChI=1S/C24H24N4/c1-17-7-6-10-22(13-17)28-23(14-19(3)27-28)20-11-12-25-24(15-20)26-16-21-9-5-4-8-18(21)2/h4-15H,16H2,1-3H3,(H,25,26)
InChIKeyGNFMTXBTBLJPDP-UHFFFAOYSA-N
XLogP5.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine (CID 18676116) is 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine is Cc1cccc(-n2nc(C)cc2-c2ccnc(NCc3ccccc3C)c2)c1.
What is the InChIKey of 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine?
The InChIKey is GNFMTXBTBLJPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-17-7-6-10-22(13-17)28-23(14-19(3)27-28)20-11-12-25-24(15-20)26-16-21-9-5-4-8-18(21)2/h4-15H,16H2,1-3H3,(H,25,26).
What are the key properties of 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine?
4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine has a molecular weight of 368.48 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-N-[(2-methylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 18676116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).