1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde

C15H20N4O — CID 106758457

IUPAC1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
SMILESCn1nccc1-c1nn(C2CCCCCC2)cc1C=O
InChIInChI=1S/C15H20N4O/c1-18-14(8-9-16-18)15-12(11-20)10-19(17-15)13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3
InChIKeyAZPFSOIRXJKVPO-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.99
Rot. Bonds3

About 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde

1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde (PubChem CID 106758457) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
PubChem CID106758457
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde
SMILESCn1nccc1-c1nn(C2CCCCCC2)cc1C=O
InChIInChI=1S/C15H20N4O/c1-18-14(8-9-16-18)15-12(11-20)10-19(17-15)13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3
InChIKeyAZPFSOIRXJKVPO-UHFFFAOYSA-N
XLogP2.99
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde (CID 106758457) is 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde is Cn1nccc1-c1nn(C2CCCCCC2)cc1C=O.
What is the InChIKey of 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
The InChIKey is AZPFSOIRXJKVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-14(8-9-16-18)15-12(11-20)10-19(17-15)13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3.
What are the key properties of 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde?
1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde has a molecular weight of 272.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-methylpyrazol-3-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 106758457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).