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

C12H15N3 — CID 62503288

IUPAC5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
SMILESCc1ccc(CCc2cc(N)n[nH]2)cc1
InChIInChI=1S/C12H15N3/c1-9-2-4-10(5-3-9)6-7-11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKeyOSQGAULMGJPMTJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.09
Rot. Bonds3

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

5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine (PubChem CID 62503288) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
PubChem CID62503288
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine
SMILESCc1ccc(CCc2cc(N)n[nH]2)cc1
InChIInChI=1S/C12H15N3/c1-9-2-4-10(5-3-9)6-7-11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15)
InChIKeyOSQGAULMGJPMTJ-UHFFFAOYSA-N
XLogP2.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine (CID 62503288) is 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine is Cc1ccc(CCc2cc(N)n[nH]2)cc1.
What is the InChIKey of 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine?
The InChIKey is OSQGAULMGJPMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-2-4-10(5-3-9)6-7-11-8-12(13)15-14-11/h2-5,8H,6-7H2,1H3,(H3,13,14,15).
What are the key properties of 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine?
5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine has a molecular weight of 201.27 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylphenyl)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 62503288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).