4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine

C22H20N4 — CID 66559477

IUPAC4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine
SMILESCc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C22H20N4/c1-16-7-5-6-10-20(16)18-11-12-23-22(13-18)24-15-19-14-21(26-25-19)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,23,24)(H,25,26)
InChIKeyYZFFJGIRQNNTFG-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.06
Rot. Bonds5

About 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine

4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine (PubChem CID 66559477) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine
PubChem CID66559477
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine
SMILESCc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C22H20N4/c1-16-7-5-6-10-20(16)18-11-12-23-22(13-18)24-15-19-14-21(26-25-19)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,23,24)(H,25,26)
InChIKeyYZFFJGIRQNNTFG-UHFFFAOYSA-N
XLogP5.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine (CID 66559477) is 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine is Cc1ccccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is YZFFJGIRQNNTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-16-7-5-6-10-20(16)18-11-12-23-22(13-18)24-15-19-14-21(26-25-19)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine?
4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 66559477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).