1-ethyl-3-phenylpyrazol-5-amine

C11H13N3 — CID 56604602

IUPAC1-ethyl-3-phenylpyrazol-5-amine
SMILESCCn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C11H13N3/c1-2-14-11(12)8-10(13-14)9-6-4-3-5-7-9/h3-8H,2,12H2,1H3
InChIKeyJNEHCCJOUCHEJJ-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.15
Rot. Bonds2

About 1-ethyl-3-phenylpyrazol-5-amine

1-ethyl-3-phenylpyrazol-5-amine (PubChem CID 56604602) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-ethyl-3-phenylpyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-phenylpyrazol-5-amine
PubChem CID56604602
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-ethyl-3-phenylpyrazol-5-amine
SMILESCCn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C11H13N3/c1-2-14-11(12)8-10(13-14)9-6-4-3-5-7-9/h3-8H,2,12H2,1H3
InChIKeyJNEHCCJOUCHEJJ-UHFFFAOYSA-N
XLogP2.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-phenylpyrazol-5-amine?
The IUPAC name of 1-ethyl-3-phenylpyrazol-5-amine (CID 56604602) is 1-ethyl-3-phenylpyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-phenylpyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-phenylpyrazol-5-amine is CCn1nc(-c2ccccc2)cc1N.
What is the InChIKey of 1-ethyl-3-phenylpyrazol-5-amine?
The InChIKey is JNEHCCJOUCHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-2-14-11(12)8-10(13-14)9-6-4-3-5-7-9/h3-8H,2,12H2,1H3.
What are the key properties of 1-ethyl-3-phenylpyrazol-5-amine?
1-ethyl-3-phenylpyrazol-5-amine has a molecular weight of 187.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-phenylpyrazol-5-amine is sourced from PubChem (CID 56604602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).