N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine

C11H19N3 — CID 61395275

IUPACN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C11H19N3/c1-3-8(2)12-7-11-9-5-4-6-10(9)13-14-11/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJAOIPVHKVKQXEP-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.79
Rot. Bonds4

About N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine

N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine (PubChem CID 61395275) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine
PubChem CID61395275
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C11H19N3/c1-3-8(2)12-7-11-9-5-4-6-10(9)13-14-11/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyJAOIPVHKVKQXEP-UHFFFAOYSA-N
XLogP1.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine?
The IUPAC name of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine (CID 61395275) is N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine?
The canonical SMILES for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine is CCC(C)NCc1n[nH]c2c1CCC2.
What is the InChIKey of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine?
The InChIKey is JAOIPVHKVKQXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-8(2)12-7-11-9-5-4-6-10(9)13-14-11/h8,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine?
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 61395275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).