5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde

C12H8N2O2 — CID 43121470

IUPAC5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C12H8N2O2/c15-7-9-6-13-14-12(9)11-5-8-3-1-2-4-10(8)16-11/h1-7H,(H,13,14)
InChIKeyGUUKJWRMPVVNOL-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.64
Rot. Bonds2

About 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde

5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde (PubChem CID 43121470) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde
PubChem CID43121470
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C12H8N2O2/c15-7-9-6-13-14-12(9)11-5-8-3-1-2-4-10(8)16-11/h1-7H,(H,13,14)
InChIKeyGUUKJWRMPVVNOL-UHFFFAOYSA-N
XLogP2.64
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gtp 14564
CID 3385203
3-(5-Bromo-1-benzofuran-2-yl)-1H-pyrazole
CID 2805330
3-benzo[b]furan-2-yl-1H-pyrazole
CID 2805300
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
Methyl 5-furan-2-yl-3-methyl-1h-pyrazole-4-carboxylate
CID 2743394
3-[3-(1-benzofuran-2-yl)-4-formyl-1H-pyrazol-1-yl]propanoic acid
CID 895913
3-(2-furyl)-4H-pyrazol-4-one N-(3-methylphenyl)hydrazone
CID 3301257
3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 3312872
1-{[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}-3-(methoxymethyl)piperidine
CID 16188202
1-[({[3-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl}amino)methyl]cyclohexanol
CID 16192043
3-(1-benzofuran-2-yl)-4-{[3-(methoxymethyl)pyrrolidin-1-yl]methyl}-1H-pyrazole
CID 16192185
5-(furan-2-yl)-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6862097

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde (CID 43121470) is 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde is O=Cc1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is GUUKJWRMPVVNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-7-9-6-13-14-12(9)11-5-8-3-1-2-4-10(8)16-11/h1-7H,(H,13,14).
What are the key properties of 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde?
5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 43121470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).