5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine

C13H22N4 — CID 113335507

IUPAC5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CC3CCCC3C2)c1N
InChIInChI=1S/C13H22N4/c1-3-11-12(14)13(16(2)15-11)17-7-9-5-4-6-10(9)8-17/h9-10H,3-8,14H2,1-2H3
InChIKeyKTDCCAIOFAUXRJ-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.80
Rot. Bonds2

About 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine

5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 113335507) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID113335507
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(N2CC3CCCC3C2)c1N
InChIInChI=1S/C13H22N4/c1-3-11-12(14)13(16(2)15-11)17-7-9-5-4-6-10(9)8-17/h9-10H,3-8,14H2,1-2H3
InChIKeyKTDCCAIOFAUXRJ-UHFFFAOYSA-N
XLogP1.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine (CID 113335507) is 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(N2CC3CCCC3C2)c1N.
What is the InChIKey of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is KTDCCAIOFAUXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11-12(14)13(16(2)15-11)17-7-9-5-4-6-10(9)8-17/h9-10H,3-8,14H2,1-2H3.
What are the key properties of 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine?
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 113335507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).