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

C10H16N2 — CID 59050189

IUPAC3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1c2c(nn1C(C)C)CCC2
InChIInChI=1S/C10H16N2/c1-7(2)12-8(3)9-5-4-6-10(9)11-12/h7H,4-6H2,1-3H3
InChIKeyJSNIERVAHBLEGU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds1

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

3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 59050189) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID59050189
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCc1c2c(nn1C(C)C)CCC2
InChIInChI=1S/C10H16N2/c1-7(2)12-8(3)9-5-4-6-10(9)11-12/h7H,4-6H2,1-3H3
InChIKeyJSNIERVAHBLEGU-UHFFFAOYSA-N
XLogP2.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 59050189) is 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole is Cc1c2c(nn1C(C)C)CCC2.
What is the InChIKey of 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is JSNIERVAHBLEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)12-8(3)9-5-4-6-10(9)11-12/h7H,4-6H2,1-3H3.
What are the key properties of 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole?
3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 59050189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).