2-ethyl-5-methyl-N-phenylpyrazol-3-amine

C12H15N3 — CID 2356878

IUPAC2-ethyl-5-methyl-N-phenylpyrazol-3-amine
SMILESCCn1nc(C)cc1Nc1ccccc1
InChIInChI=1S/C12H15N3/c1-3-15-12(9-10(2)14-15)13-11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3
InChIKeyISVTTYVLUMDYNG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.96
Rot. Bonds3

About 2-ethyl-5-methyl-N-phenylpyrazol-3-amine

2-ethyl-5-methyl-N-phenylpyrazol-3-amine (PubChem CID 2356878) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N-phenylpyrazol-3-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-N-phenylpyrazol-3-amine
PubChem CID2356878
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-ethyl-5-methyl-N-phenylpyrazol-3-amine
SMILESCCn1nc(C)cc1Nc1ccccc1
InChIInChI=1S/C12H15N3/c1-3-15-12(9-10(2)14-15)13-11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3
InChIKeyISVTTYVLUMDYNG-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N-phenylpyrazol-3-amine?
The IUPAC name of 2-ethyl-5-methyl-N-phenylpyrazol-3-amine (CID 2356878) is 2-ethyl-5-methyl-N-phenylpyrazol-3-amine.
What is the SMILES notation for 2-ethyl-5-methyl-N-phenylpyrazol-3-amine?
The canonical SMILES for 2-ethyl-5-methyl-N-phenylpyrazol-3-amine is CCn1nc(C)cc1Nc1ccccc1.
What is the InChIKey of 2-ethyl-5-methyl-N-phenylpyrazol-3-amine?
The InChIKey is ISVTTYVLUMDYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-15-12(9-10(2)14-15)13-11-7-5-4-6-8-11/h4-9,13H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-N-phenylpyrazol-3-amine?
2-ethyl-5-methyl-N-phenylpyrazol-3-amine has a molecular weight of 201.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N-phenylpyrazol-3-amine is sourced from PubChem (CID 2356878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).