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

C10H17N3 — CID 61395229

IUPACN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C10H17N3/c1-7(2)11-6-10-8-4-3-5-9(8)12-13-10/h7,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQICTYWGWKDJXGT-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.40
Rot. Bonds3

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

N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine (PubChem CID 61395229) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine
PubChem CID61395229
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine
SMILESCC(C)NCc1n[nH]c2c1CCC2
InChIInChI=1S/C10H17N3/c1-7(2)11-6-10-8-4-3-5-9(8)12-13-10/h7,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQICTYWGWKDJXGT-UHFFFAOYSA-N
XLogP1.40
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine (CID 61395229) is N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine is CC(C)NCc1n[nH]c2c1CCC2.
What is the InChIKey of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine?
The InChIKey is QICTYWGWKDJXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)11-6-10-8-4-3-5-9(8)12-13-10/h7,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine?
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.40, 3 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)propan-2-amine is sourced from PubChem (CID 61395229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).