1-ethyl-3-(3-methylphenyl)pyrazol-4-amine

C12H15N3 — CID 83216683

IUPAC1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
SMILESCCn1cc(N)c(-c2cccc(C)c2)n1
InChIInChI=1S/C12H15N3/c1-3-15-8-11(13)12(14-15)10-6-4-5-9(2)7-10/h4-8H,3,13H2,1-2H3
InChIKeyKJCKEYUKSKDNKK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.46
Rot. Bonds2

About 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine

1-ethyl-3-(3-methylphenyl)pyrazol-4-amine (PubChem CID 83216683) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
PubChem CID83216683
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-ethyl-3-(3-methylphenyl)pyrazol-4-amine
SMILESCCn1cc(N)c(-c2cccc(C)c2)n1
InChIInChI=1S/C12H15N3/c1-3-15-8-11(13)12(14-15)10-6-4-5-9(2)7-10/h4-8H,3,13H2,1-2H3
InChIKeyKJCKEYUKSKDNKK-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine (CID 83216683) is 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine is CCn1cc(N)c(-c2cccc(C)c2)n1.
What is the InChIKey of 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine?
The InChIKey is KJCKEYUKSKDNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-15-8-11(13)12(14-15)10-6-4-5-9(2)7-10/h4-8H,3,13H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine?
1-ethyl-3-(3-methylphenyl)pyrazol-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylphenyl)pyrazol-4-amine is sourced from PubChem (CID 83216683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).