5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine

C14H17N3 — CID 142322198

IUPAC5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine
SMILESC=Cc1ccc(-c2c(CC)c(N)nn2C)cc1
InChIInChI=1S/C14H17N3/c1-4-10-6-8-11(9-7-10)13-12(5-2)14(15)16-17(13)3/h4,6-9H,1,5H2,2-3H3,(H2,15,16)
InChIKeyLLZPBELMHSTRGW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.87
Rot. Bonds3

About 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine

5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine (PubChem CID 142322198) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine
PubChem CID142322198
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine
SMILESC=Cc1ccc(-c2c(CC)c(N)nn2C)cc1
InChIInChI=1S/C14H17N3/c1-4-10-6-8-11(9-7-10)13-12(5-2)14(15)16-17(13)3/h4,6-9H,1,5H2,2-3H3,(H2,15,16)
InChIKeyLLZPBELMHSTRGW-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine?
The IUPAC name of 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine (CID 142322198) is 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine?
The canonical SMILES for 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine is C=Cc1ccc(-c2c(CC)c(N)nn2C)cc1.
What is the InChIKey of 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine?
The InChIKey is LLZPBELMHSTRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-4-10-6-8-11(9-7-10)13-12(5-2)14(15)16-17(13)3/h4,6-9H,1,5H2,2-3H3,(H2,15,16).
What are the key properties of 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine?
5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine has a molecular weight of 227.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylphenyl)-4-ethyl-1-methylpyrazol-3-amine is sourced from PubChem (CID 142322198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).