3-(3-phenylpyrazol-1-yl)propan-1-amine

C12H15N3 — CID 57225194

IUPAC3-(3-phenylpyrazol-1-yl)propan-1-amine
SMILESNCCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H15N3/c13-8-4-9-15-10-7-12(14-15)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9,13H2
InChIKeyWQIWYZOPTLWZDM-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.90
Rot. Bonds4

About 3-(3-phenylpyrazol-1-yl)propan-1-amine

3-(3-phenylpyrazol-1-yl)propan-1-amine (PubChem CID 57225194) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-phenylpyrazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-phenylpyrazol-1-yl)propan-1-amine
PubChem CID57225194
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(3-phenylpyrazol-1-yl)propan-1-amine
SMILESNCCCn1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H15N3/c13-8-4-9-15-10-7-12(14-15)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9,13H2
InChIKeyWQIWYZOPTLWZDM-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylpyrazol-1-yl)propan-1-amine?
The IUPAC name of 3-(3-phenylpyrazol-1-yl)propan-1-amine (CID 57225194) is 3-(3-phenylpyrazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3-phenylpyrazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(3-phenylpyrazol-1-yl)propan-1-amine is NCCCn1ccc(-c2ccccc2)n1.
What is the InChIKey of 3-(3-phenylpyrazol-1-yl)propan-1-amine?
The InChIKey is WQIWYZOPTLWZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c13-8-4-9-15-10-7-12(14-15)11-5-2-1-3-6-11/h1-3,5-7,10H,4,8-9,13H2.
What are the key properties of 3-(3-phenylpyrazol-1-yl)propan-1-amine?
3-(3-phenylpyrazol-1-yl)propan-1-amine has a molecular weight of 201.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylpyrazol-1-yl)propan-1-amine is sourced from PubChem (CID 57225194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).