3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine

C9H15N3 — CID 176992342

IUPAC3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine
SMILESCC(C)c1n[nH]c2c1CCC2N
InChIInChI=1S/C9H15N3/c1-5(2)8-6-3-4-7(10)9(6)12-11-8/h5,7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyRYLRJHNGTWATDJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.48
Rot. Bonds1

About 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine

3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine (PubChem CID 176992342) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine.

Molecular Properties

Compound Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine
PubChem CID176992342
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine
SMILESCC(C)c1n[nH]c2c1CCC2N
InChIInChI=1S/C9H15N3/c1-5(2)8-6-3-4-7(10)9(6)12-11-8/h5,7H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyRYLRJHNGTWATDJ-UHFFFAOYSA-N
XLogP1.48
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine?
The IUPAC name of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine (CID 176992342) is 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine.
What is the SMILES notation for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine?
The canonical SMILES for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine is CC(C)c1n[nH]c2c1CCC2N.
What is the InChIKey of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine?
The InChIKey is RYLRJHNGTWATDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-5(2)8-6-3-4-7(10)9(6)12-11-8/h5,7H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine?
3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine has a molecular weight of 165.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-amine is sourced from PubChem (CID 176992342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).