4-(3-chloroprop-1-enyl)-1-phenylpyrazole

C12H11ClN2 — CID 79335752

IUPAC4-(3-chloroprop-1-enyl)-1-phenylpyrazole
SMILESClCC=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11ClN2/c13-8-4-5-11-9-14-15(10-11)12-6-2-1-3-7-12/h1-7,9-10H,8H2
InChIKeyVRNGBJZSBPJUOD-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.12
Rot. Bonds3

About 4-(3-chloroprop-1-enyl)-1-phenylpyrazole

4-(3-chloroprop-1-enyl)-1-phenylpyrazole (PubChem CID 79335752) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-1-phenylpyrazole
PubChem CID79335752
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-(3-chloroprop-1-enyl)-1-phenylpyrazole
SMILESClCC=Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11ClN2/c13-8-4-5-11-9-14-15(10-11)12-6-2-1-3-7-12/h1-7,9-10H,8H2
InChIKeyVRNGBJZSBPJUOD-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.12
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

(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
S-[4-(1-phenylpyrazol-4-yl)but-3-enyl] ethanethioate
CID 170480845
N-[4-(1-phenylpyrazol-4-yl)but-3-enyl]acetamide
CID 170489404
N-(2-methoxyethyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 79340247
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
[(E)-3-chloroprop-1-enyl]benzene;hydron
CID 174539817
4-(2-chloroethyl)-1-phenylpyrazole
CID 64867718
4-(3-chloroprop-1-enyl)-1,3-diphenylpyrazole
CID 169478562
(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9033178
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine
CID 4068272

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)-1-phenylpyrazole?
The IUPAC name of 4-(3-chloroprop-1-enyl)-1-phenylpyrazole (CID 79335752) is 4-(3-chloroprop-1-enyl)-1-phenylpyrazole.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-1-phenylpyrazole?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-1-phenylpyrazole is ClCC=Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-1-phenylpyrazole?
The InChIKey is VRNGBJZSBPJUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c13-8-4-5-11-9-14-15(10-11)12-6-2-1-3-7-12/h1-7,9-10H,8H2.
What are the key properties of 4-(3-chloroprop-1-enyl)-1-phenylpyrazole?
4-(3-chloroprop-1-enyl)-1-phenylpyrazole has a molecular weight of 218.69 g/mol, XLogP of 3.12, 3 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-phenylpyrazole is sourced from PubChem (CID 79335752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).