1-methyl-5-(2-phenylethyl)pyrazol-4-amine

C12H15N3 — CID 112709008

IUPAC1-methyl-5-(2-phenylethyl)pyrazol-4-amine
SMILESCn1ncc(N)c1CCc1ccccc1
InChIInChI=1S/C12H15N3/c1-15-12(11(13)9-14-15)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3
InChIKeyYXJDTZFZXZFIAE-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-5-(2-phenylethyl)pyrazol-4-amine

1-methyl-5-(2-phenylethyl)pyrazol-4-amine (PubChem CID 112709008) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-methyl-5-(2-phenylethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(2-phenylethyl)pyrazol-4-amine
PubChem CID112709008
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-methyl-5-(2-phenylethyl)pyrazol-4-amine
SMILESCn1ncc(N)c1CCc1ccccc1
InChIInChI=1S/C12H15N3/c1-15-12(11(13)9-14-15)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3
InChIKeyYXJDTZFZXZFIAE-UHFFFAOYSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-phenylethyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-5-(2-phenylethyl)pyrazol-4-amine (CID 112709008) is 1-methyl-5-(2-phenylethyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(2-phenylethyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(2-phenylethyl)pyrazol-4-amine is Cn1ncc(N)c1CCc1ccccc1.
What is the InChIKey of 1-methyl-5-(2-phenylethyl)pyrazol-4-amine?
The InChIKey is YXJDTZFZXZFIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15-12(11(13)9-14-15)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8,13H2,1H3.
What are the key properties of 1-methyl-5-(2-phenylethyl)pyrazol-4-amine?
1-methyl-5-(2-phenylethyl)pyrazol-4-amine has a molecular weight of 201.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-phenylethyl)pyrazol-4-amine is sourced from PubChem (CID 112709008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).