3-(1,3-diphenylpyrazol-4-yl)prop-2-enal

C18H14N2O — CID 169460172

IUPAC3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
SMILESO=CC=Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H14N2O/c21-13-7-10-16-14-20(17-11-5-2-6-12-17)19-18(16)15-8-3-1-4-9-15/h1-14H
InChIKeySKFHPZHGGSQRJI-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.75
Rot. Bonds4

About 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal

3-(1,3-diphenylpyrazol-4-yl)prop-2-enal (PubChem CID 169460172) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal.

Molecular Properties

Compound Name3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
PubChem CID169460172
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
SMILESO=CC=Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H14N2O/c21-13-7-10-16-14-20(17-11-5-2-6-12-17)19-18(16)15-8-3-1-4-9-15/h1-14H
InChIKeySKFHPZHGGSQRJI-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole
CID 169478562
3-(3-methoxy-1-phenylpyrazol-4-yl)prop-2-enal
CID 75541949
1-(4-methylphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 3827316
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]-1,3-diphenylpyrazole
CID 132942065
2-[2-(1,3-diphenylpyrazol-4-yl)ethenyl]-4-phenyl-1,3-thiazole
CID 3250858
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 5064210
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
CID 39095577
(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2360671

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal?
The IUPAC name of 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal (CID 169460172) is 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal.
What is the SMILES notation for 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal?
The canonical SMILES for 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal is O=CC=Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal?
The InChIKey is SKFHPZHGGSQRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-13-7-10-16-14-20(17-11-5-2-6-12-17)19-18(16)15-8-3-1-4-9-15/h1-14H.
What are the key properties of 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal?
3-(1,3-diphenylpyrazol-4-yl)prop-2-enal has a molecular weight of 274.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diphenylpyrazol-4-yl)prop-2-enal is sourced from PubChem (CID 169460172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).