2-phenylpyrazole-3-carbaldehyde

C10H8N2O — CID 2776567

IUPAC2-phenylpyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1-c1ccccc1
InChIInChI=1S/C10H8N2O/c13-8-10-6-7-11-12(10)9-4-2-1-3-5-9/h1-8H
InChIKeyOQORFMABOZEDBL-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.68
Rot. Bonds2

About 2-phenylpyrazole-3-carbaldehyde

2-phenylpyrazole-3-carbaldehyde (PubChem CID 2776567) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-phenylpyrazole-3-carbaldehyde.

Molecular Properties

Compound Name2-phenylpyrazole-3-carbaldehyde
PubChem CID2776567
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-phenylpyrazole-3-carbaldehyde
SMILESO=Cc1ccnn1-c1ccccc1
InChIInChI=1S/C10H8N2O/c13-8-10-6-7-11-12(10)9-4-2-1-3-5-9/h1-8H
InChIKeyOQORFMABOZEDBL-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.68
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

4-(1H-Pyrazol-1-yl)benzaldehyde
CID 2776477
1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-one
CID 80207
1-Phenyl-1H-pyrazole-4-carbaldehyde
CID 952089
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 848884
3-(1H-Pyrazol-1-yl)benzaldehyde
CID 7172309
1-phenyl-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 12140387
1-Phenyl-1H-pyrazole-3-carbaldehyde
CID 13432476
4-(3-methyl-1H-pyrazol-1-yl)benzaldehyde
CID 20514100
1-(1-phenyl-1H-pyrazol-5-yl)ethan-1-one
CID 53421979
N-(2,4-difluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 1509154
1-[Methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde
CID 10631898

Frequently Asked Questions

What is the IUPAC name of 2-phenylpyrazole-3-carbaldehyde?
The IUPAC name of 2-phenylpyrazole-3-carbaldehyde (CID 2776567) is 2-phenylpyrazole-3-carbaldehyde.
What is the SMILES notation for 2-phenylpyrazole-3-carbaldehyde?
The canonical SMILES for 2-phenylpyrazole-3-carbaldehyde is O=Cc1ccnn1-c1ccccc1.
What is the InChIKey of 2-phenylpyrazole-3-carbaldehyde?
The InChIKey is OQORFMABOZEDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c13-8-10-6-7-11-12(10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-phenylpyrazole-3-carbaldehyde?
2-phenylpyrazole-3-carbaldehyde has a molecular weight of 172.19 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrazole-3-carbaldehyde is sourced from PubChem (CID 2776567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).