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

C17H18N4 — CID 80521449

IUPAC5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESCc1ccccc1CCc1[nH]nc(N)c1-c1cccnc1
InChIInChI=1S/C17H18N4/c1-12-5-2-3-6-13(12)8-9-15-16(17(18)21-20-15)14-7-4-10-19-11-14/h2-7,10-11H,8-9H2,1H3,(H3,18,20,21)
InChIKeyLKQOIKRTKYDQCK-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.15
Rot. Bonds4

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

5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine (PubChem CID 80521449) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine
PubChem CID80521449
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine
SMILESCc1ccccc1CCc1[nH]nc(N)c1-c1cccnc1
InChIInChI=1S/C17H18N4/c1-12-5-2-3-6-13(12)8-9-15-16(17(18)21-20-15)14-7-4-10-19-11-14/h2-7,10-11H,8-9H2,1H3,(H3,18,20,21)
InChIKeyLKQOIKRTKYDQCK-UHFFFAOYSA-N
XLogP3.15
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine (CID 80521449) is 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine is Cc1ccccc1CCc1[nH]nc(N)c1-c1cccnc1.
What is the InChIKey of 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine?
The InChIKey is LKQOIKRTKYDQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-12-5-2-3-6-13(12)8-9-15-16(17(18)21-20-15)14-7-4-10-19-11-14/h2-7,10-11H,8-9H2,1H3,(H3,18,20,21).
What are the key properties of 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine?
5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine has a molecular weight of 278.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylphenyl)ethyl]-4-pyridin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80521449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).