3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole

C12H20N2 — CID 70631202

IUPAC3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCCCCCn1nc2c(c1C)CCC2
InChIInChI=1S/C12H20N2/c1-3-4-5-9-14-10(2)11-7-6-8-12(11)13-14/h3-9H2,1-2H3
InChIKeyIRVUZXPOOPEMNY-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.87
Rot. Bonds4

About 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole

3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 70631202) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID70631202
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCCCCCn1nc2c(c1C)CCC2
InChIInChI=1S/C12H20N2/c1-3-4-5-9-14-10(2)11-7-6-8-12(11)13-14/h3-9H2,1-2H3
InChIKeyIRVUZXPOOPEMNY-UHFFFAOYSA-N
XLogP2.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 70631202) is 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole is CCCCCn1nc2c(c1C)CCC2.
What is the InChIKey of 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is IRVUZXPOOPEMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-4-5-9-14-10(2)11-7-6-8-12(11)13-14/h3-9H2,1-2H3.
What are the key properties of 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 192.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentyl-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 70631202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).