3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde

C15H12N2O2 — CID 818637

IUPAC3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C=O)o1
InChIInChI=1S/C15H12N2O2/c1-11-7-8-14(19-11)15-12(10-18)9-17(16-15)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeySSPIACVNXSPAPC-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.25
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde

3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde (PubChem CID 818637) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
PubChem CID818637
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C=O)o1
InChIInChI=1S/C15H12N2O2/c1-11-7-8-14(19-11)15-12(10-18)9-17(16-15)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeySSPIACVNXSPAPC-UHFFFAOYSA-N
XLogP3.25
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5337245
5-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1351608
1-(4,6-dimethylpyrimidin-2-yl)-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde
CID 43244285
3-[5-(4-nitrophenyl)furan-2-yl]-1-phenylpyrazole-4-carbaldehyde
CID 1105111
(5Z)-5-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2218123
(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 36842749
3-(5-methylfuran-2-yl)-1-pentan-3-ylpyrazole-4-carbaldehyde
CID 61270936
3-(2,6-difluorophenyl)-1-phenylpyrazole-4-carbaldehyde
CID 43324252
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-(1,4-thiazepan-4-yl)prop-2-en-1-one
CID 71886308
1-butan-2-yl-3-(5-methylfuran-2-yl)pyrazole-4-carbaldehyde
CID 61270323
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde (CID 818637) is 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde is Cc1ccc(-c2nn(-c3ccccc3)cc2C=O)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is SSPIACVNXSPAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-11-7-8-14(19-11)15-12(10-18)9-17(16-15)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde?
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 818637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).