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

C10H14N2O — CID 112711151

IUPAC2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESCC(C)n1nc2c(c1C=O)CCC2
InChIInChI=1S/C10H14N2O/c1-7(2)12-10(6-13)8-4-3-5-9(8)11-12/h6-7H,3-5H2,1-2H3
InChIKeyNRJBDVAMLBGWCE-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.77
Rot. Bonds2

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

2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde (PubChem CID 112711151) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
PubChem CID112711151
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
SMILESCC(C)n1nc2c(c1C=O)CCC2
InChIInChI=1S/C10H14N2O/c1-7(2)12-10(6-13)8-4-3-5-9(8)11-12/h6-7H,3-5H2,1-2H3
InChIKeyNRJBDVAMLBGWCE-UHFFFAOYSA-N
XLogP1.77
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The IUPAC name of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde (CID 112711151) is 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde.
What is the SMILES notation for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The canonical SMILES for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde is CC(C)n1nc2c(c1C=O)CCC2.
What is the InChIKey of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
The InChIKey is NRJBDVAMLBGWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)12-10(6-13)8-4-3-5-9(8)11-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde?
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde has a molecular weight of 178.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde is sourced from PubChem (CID 112711151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).