2-(4-phenylpyrazol-1-yl)acetaldehyde

C11H10N2O — CID 62770102

IUPAC2-(4-phenylpyrazol-1-yl)acetaldehyde
SMILESO=CCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C11H10N2O/c14-7-6-13-9-11(8-12-13)10-4-2-1-3-5-10/h1-5,7-9H,6H2
InChIKeyHHISCLORXCHTLC-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.75
Rot. Bonds3

About 2-(4-phenylpyrazol-1-yl)acetaldehyde

2-(4-phenylpyrazol-1-yl)acetaldehyde (PubChem CID 62770102) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)acetaldehyde
PubChem CID62770102
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-(4-phenylpyrazol-1-yl)acetaldehyde
SMILESO=CCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C11H10N2O/c14-7-6-13-9-11(8-12-13)10-4-2-1-3-5-10/h1-5,7-9H,6H2
InChIKeyHHISCLORXCHTLC-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.75
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

N-[2-(4-phenylpyrazol-1-yl)ethyl]formamide
CID 118524294
2-ethyl-4-(4-phenylpyrazol-1-yl)but-2-enoic acid
CID 77101846
1-(2,2-dimethylpropyl)-4-phenylpyrazole
CID 149052021
1-(2-fluoroethyl)-4-phenylpyrazole
CID 23381768
N-ethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62771315
2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 99133443
2-[4-(2-phenylphenyl)pyrazol-1-yl]acetamide
CID 121499014
3-(4-phenylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 164608398
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
(1Z,3Z)-N-methyl-5-[4-(3-phenylphenyl)pyrazol-1-yl]penta-1,3-dien-1-amine
CID 142951331
2,2-dimethyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 106714171
5-(4-phenylpyrazol-1-yl)pentan-2-one
CID 55113154

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrazol-1-yl)acetaldehyde?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)acetaldehyde (CID 62770102) is 2-(4-phenylpyrazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)acetaldehyde is O=CCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)acetaldehyde?
The InChIKey is HHISCLORXCHTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c14-7-6-13-9-11(8-12-13)10-4-2-1-3-5-10/h1-5,7-9H,6H2.
What are the key properties of 2-(4-phenylpyrazol-1-yl)acetaldehyde?
2-(4-phenylpyrazol-1-yl)acetaldehyde has a molecular weight of 186.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)acetaldehyde is sourced from PubChem (CID 62770102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).