[2-(2-propylpyrazol-3-yl)phenyl]methanamine

C13H17N3 — CID 63974811

IUPAC[2-(2-propylpyrazol-3-yl)phenyl]methanamine
SMILESCCCn1nccc1-c1ccccc1CN
InChIInChI=1S/C13H17N3/c1-2-9-16-13(7-8-15-16)12-6-4-3-5-11(12)10-14/h3-8H,2,9-10,14H2,1H3
InChIKeyGPVOJACYPGCTEF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.42
Rot. Bonds4

About [2-(2-propylpyrazol-3-yl)phenyl]methanamine

[2-(2-propylpyrazol-3-yl)phenyl]methanamine (PubChem CID 63974811) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [2-(2-propylpyrazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-propylpyrazol-3-yl)phenyl]methanamine
PubChem CID63974811
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[2-(2-propylpyrazol-3-yl)phenyl]methanamine
SMILESCCCn1nccc1-c1ccccc1CN
InChIInChI=1S/C13H17N3/c1-2-9-16-13(7-8-15-16)12-6-4-3-5-11(12)10-14/h3-8H,2,9-10,14H2,1H3
InChIKeyGPVOJACYPGCTEF-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-propylpyrazol-3-yl)phenyl]methanamine?
The IUPAC name of [2-(2-propylpyrazol-3-yl)phenyl]methanamine (CID 63974811) is [2-(2-propylpyrazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [2-(2-propylpyrazol-3-yl)phenyl]methanamine?
The canonical SMILES for [2-(2-propylpyrazol-3-yl)phenyl]methanamine is CCCn1nccc1-c1ccccc1CN.
What is the InChIKey of [2-(2-propylpyrazol-3-yl)phenyl]methanamine?
The InChIKey is GPVOJACYPGCTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-9-16-13(7-8-15-16)12-6-4-3-5-11(12)10-14/h3-8H,2,9-10,14H2,1H3.
What are the key properties of [2-(2-propylpyrazol-3-yl)phenyl]methanamine?
[2-(2-propylpyrazol-3-yl)phenyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propylpyrazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 63974811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).