4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole

C18H15ClN2 — CID 169478562

IUPAC4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole
SMILESClCC=Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15ClN2/c19-13-7-10-16-14-21(17-11-5-2-6-12-17)20-18(16)15-8-3-1-4-9-15/h1-12,14H,13H2
InChIKeyWVFLWZAJIHMYGI-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.79
Rot. Bonds4

About 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole

4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole (PubChem CID 169478562) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole
PubChem CID169478562
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole
SMILESClCC=Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H15ClN2/c19-13-7-10-16-14-21(17-11-5-2-6-12-17)20-18(16)15-8-3-1-4-9-15/h1-12,14H,13H2
InChIKeyWVFLWZAJIHMYGI-UHFFFAOYSA-N
XLogP4.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-diphenylpyrazol-4-yl)prop-2-enal
CID 169460172
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
2-chloro-N-[(E)-(1,3-diphenylpyrazol-4-yl)methylideneamino]acetamide
CID 6899907
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
1-(1,3-diphenylpyrazol-4-yl)-N-phenylmethanimine oxide
CID 139051830
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682
2-[[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 3727889
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 4605585
1,3,4-triphenylpyrazole
CID 555882
3-(1,3-diphenylpyrazol-4-yl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 3645403

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole?
The IUPAC name of 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole (CID 169478562) is 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole is ClCC=Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole?
The InChIKey is WVFLWZAJIHMYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c19-13-7-10-16-14-21(17-11-5-2-6-12-17)20-18(16)15-8-3-1-4-9-15/h1-12,14H,13H2.
What are the key properties of 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole?
4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole has a molecular weight of 294.79 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole is sourced from PubChem (CID 169478562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).