3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine

C9H15N3 — CID 83845823

IUPAC3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine
SMILESNCCCc1n[nH]c2c1CCC2
InChIInChI=1S/C9H15N3/c10-6-2-5-9-7-3-1-4-8(7)11-12-9/h1-6,10H2,(H,11,12)
InChIKeyNJCDBOCEXLVYQC-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.79
Rot. Bonds3

About 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine

3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine (PubChem CID 83845823) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine
PubChem CID83845823
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine
SMILESNCCCc1n[nH]c2c1CCC2
InChIInChI=1S/C9H15N3/c10-6-2-5-9-7-3-1-4-8(7)11-12-9/h1-6,10H2,(H,11,12)
InChIKeyNJCDBOCEXLVYQC-UHFFFAOYSA-N
XLogP0.79
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine?
The IUPAC name of 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine (CID 83845823) is 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine is NCCCc1n[nH]c2c1CCC2.
What is the InChIKey of 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine?
The InChIKey is NJCDBOCEXLVYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c10-6-2-5-9-7-3-1-4-8(7)11-12-9/h1-6,10H2,(H,11,12).
What are the key properties of 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine?
3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 83845823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).