1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde

C13H14N2O2 — CID 61270554

IUPAC1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESCC(C1CC1)n1cc(C=O)c(-c2ccco2)n1
InChIInChI=1S/C13H14N2O2/c1-9(10-4-5-10)15-7-11(8-16)13(14-15)12-3-2-6-17-12/h2-3,6-10H,4-5H2,1H3
InChIKeyFMJUQXVBLNHYFV-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.93
Rot. Bonds4

About 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde

1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde (PubChem CID 61270554) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
PubChem CID61270554
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde
SMILESCC(C1CC1)n1cc(C=O)c(-c2ccco2)n1
InChIInChI=1S/C13H14N2O2/c1-9(10-4-5-10)15-7-11(8-16)13(14-15)12-3-2-6-17-12/h2-3,6-10H,4-5H2,1H3
InChIKeyFMJUQXVBLNHYFV-UHFFFAOYSA-N
XLogP2.93
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde (CID 61270554) is 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde is CC(C1CC1)n1cc(C=O)c(-c2ccco2)n1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
The InChIKey is FMJUQXVBLNHYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(10-4-5-10)15-7-11(8-16)13(14-15)12-3-2-6-17-12/h2-3,6-10H,4-5H2,1H3.
What are the key properties of 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde?
1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(furan-2-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 61270554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).