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

C10H14N2O — CID 112711168

IUPAC1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
SMILESCC(C)n1nc(C=O)c2c1CCC2
InChIInChI=1S/C10H14N2O/c1-7(2)12-10-5-3-4-8(10)9(6-13)11-12/h6-7H,3-5H2,1-2H3
InChIKeySULFFSYIQLYSLD-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.77
Rot. Bonds2

About 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde

1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde (PubChem CID 112711168) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
PubChem CID112711168
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
SMILESCC(C)n1nc(C=O)c2c1CCC2
InChIInChI=1S/C10H14N2O/c1-7(2)12-10-5-3-4-8(10)9(6-13)11-12/h6-7H,3-5H2,1-2H3
InChIKeySULFFSYIQLYSLD-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 ≤ 500178.23
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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Related Compounds

1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 112711170
1-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-3-carbaldehyde
CID 105438135
4,4-difluoro-1-propan-2-yl-6,7-dihydro-5H-indazole-3-carbaldehyde
CID 105485375
1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 83862378
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
CID 112711151
1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde
CID 83863008
1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 137483098
1-propan-2-ylindazole-3-carbaldehyde
CID 87676732
1-[bis(3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)methyl]-3-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 15770079
1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 82590514
1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105493367
1-(2-methylpropyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carbaldehyde
CID 105461799

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde?
The IUPAC name of 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde (CID 112711168) is 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde is CC(C)n1nc(C=O)c2c1CCC2.
What is the InChIKey of 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde?
The InChIKey is SULFFSYIQLYSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)12-10-5-3-4-8(10)9(6-13)11-12/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde?
1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde has a molecular weight of 178.23 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 1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbaldehyde is sourced from PubChem (CID 112711168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).