2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine

C7H13N3 — CID 142910494

IUPAC2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine
SMILESCN1NC2CCCC2=C1N
InChIInChI=1S/C7H13N3/c1-10-7(8)5-3-2-4-6(5)9-10/h6,9H,2-4,8H2,1H3
InChIKeyIRFVZUHRBQANFK-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.16
Rot. Bonds

About 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine

2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine (PubChem CID 142910494) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine
PubChem CID142910494
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine
SMILESCN1NC2CCCC2=C1N
InChIInChI=1S/C7H13N3/c1-10-7(8)5-3-2-4-6(5)9-10/h6,9H,2-4,8H2,1H3
InChIKeyIRFVZUHRBQANFK-UHFFFAOYSA-N
XLogP0.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine?
The IUPAC name of 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine (CID 142910494) is 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine?
The canonical SMILES for 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine is CN1NC2CCCC2=C1N.
What is the InChIKey of 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine?
The InChIKey is IRFVZUHRBQANFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-10-7(8)5-3-2-4-6(5)9-10/h6,9H,2-4,8H2,1H3.
What are the key properties of 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine?
2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 142910494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).