3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine

C9H13N3 — CID 63974598

IUPAC3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine
SMILESCCCn1nccc1C#CCN
InChIInChI=1S/C9H13N3/c1-2-8-12-9(4-3-6-10)5-7-11-12/h5,7H,2,6,8,10H2,1H3
InChIKeyZFDNZDFINGKJAQ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.60
Rot. Bonds2

About 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine

3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine (PubChem CID 63974598) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine
PubChem CID63974598
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine
SMILESCCCn1nccc1C#CCN
InChIInChI=1S/C9H13N3/c1-2-8-12-9(4-3-6-10)5-7-11-12/h5,7H,2,6,8,10H2,1H3
InChIKeyZFDNZDFINGKJAQ-UHFFFAOYSA-N
XLogP0.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylpyrazol-3-yl)hex-1-yn-3-amine
CID 106225791
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
3-(3-methylimidazol-4-yl)prop-2-yn-1-amine
CID 122241864
3-(2-methylpyrazol-3-yl)prop-2-yn-1-ol
CID 63961781
N'-methyl-N'-[(2-propylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 114556320
[2-(2-propylpyrazol-3-yl)phenyl]methanamine
CID 63974811
(2-propylpyrazol-3-yl)methanesulfonamide
CID 114557239
2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
2-propylpyrazole-3-carboxylic acid
CID 7017775
4-(propylideneamino)butanenitrile;2-propylpyrazol-3-amine
CID 160616970
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
N-[[2-(2-fluoroethyl)pyrazol-3-yl]methyl]-1-(2-propylpyrazol-3-yl)methanamine
CID 122166952

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine (CID 63974598) is 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine is CCCn1nccc1C#CCN.
What is the InChIKey of 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine?
The InChIKey is ZFDNZDFINGKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-2-8-12-9(4-3-6-10)5-7-11-12/h5,7H,2,6,8,10H2,1H3.
What are the key properties of 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine?
3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine has a molecular weight of 163.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylpyrazol-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 63974598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).