3-[1-(2-aminoethyl)pyrazol-3-yl]aniline

C11H14N4 — CID 91614982

IUPAC3-[1-(2-aminoethyl)pyrazol-3-yl]aniline
SMILESNCCn1ccc(-c2cccc(N)c2)n1
InChIInChI=1S/C11H14N4/c12-5-7-15-6-4-11(14-15)9-2-1-3-10(13)8-9/h1-4,6,8H,5,7,12-13H2
InChIKeyPRFKUGMBYNOMGD-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.09
Rot. Bonds3

About 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline

3-[1-(2-aminoethyl)pyrazol-3-yl]aniline (PubChem CID 91614982) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)pyrazol-3-yl]aniline
PubChem CID91614982
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-[1-(2-aminoethyl)pyrazol-3-yl]aniline
SMILESNCCn1ccc(-c2cccc(N)c2)n1
InChIInChI=1S/C11H14N4/c12-5-7-15-6-4-11(14-15)9-2-1-3-10(13)8-9/h1-4,6,8H,5,7,12-13H2
InChIKeyPRFKUGMBYNOMGD-UHFFFAOYSA-N
XLogP1.09
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline?
The IUPAC name of 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline (CID 91614982) is 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline.
What is the SMILES notation for 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline?
The canonical SMILES for 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline is NCCn1ccc(-c2cccc(N)c2)n1.
What is the InChIKey of 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline?
The InChIKey is PRFKUGMBYNOMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-5-7-15-6-4-11(14-15)9-2-1-3-10(13)8-9/h1-4,6,8H,5,7,12-13H2.
What are the key properties of 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline?
3-[1-(2-aminoethyl)pyrazol-3-yl]aniline has a molecular weight of 202.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)pyrazol-3-yl]aniline is sourced from PubChem (CID 91614982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).