4-(2-chloroethyl)-1-phenylpyrazole

C11H11ClN2 — CID 64867718

IUPAC4-(2-chloroethyl)-1-phenylpyrazole
SMILESClCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H11ClN2/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2
InChIKeyTVAHEHSUVKMHOW-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.65
Rot. Bonds3

About 4-(2-chloroethyl)-1-phenylpyrazole

4-(2-chloroethyl)-1-phenylpyrazole (PubChem CID 64867718) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 4-(2-chloroethyl)-1-phenylpyrazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-1-phenylpyrazole
PubChem CID64867718
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name4-(2-chloroethyl)-1-phenylpyrazole
SMILESClCCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H11ClN2/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2
InChIKeyTVAHEHSUVKMHOW-UHFFFAOYSA-N
XLogP2.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.65
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

1-phenyl-4-propylpyrazole
CID 12902534
2-(1-phenylpyrazol-4-yl)ethanethiol
CID 134448199
4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine
CID 62718920
2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]propan-1-amine
CID 60760084
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
(E)-7-(1-phenylpyrazol-4-yl)hept-2-enoic acid
CID 15147447
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27318826

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-1-phenylpyrazole?
The IUPAC name of 4-(2-chloroethyl)-1-phenylpyrazole (CID 64867718) is 4-(2-chloroethyl)-1-phenylpyrazole.
What is the SMILES notation for 4-(2-chloroethyl)-1-phenylpyrazole?
The canonical SMILES for 4-(2-chloroethyl)-1-phenylpyrazole is ClCCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 4-(2-chloroethyl)-1-phenylpyrazole?
The InChIKey is TVAHEHSUVKMHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-7-6-10-8-13-14(9-10)11-4-2-1-3-5-11/h1-5,8-9H,6-7H2.
What are the key properties of 4-(2-chloroethyl)-1-phenylpyrazole?
4-(2-chloroethyl)-1-phenylpyrazole has a molecular weight of 206.68 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-1-phenylpyrazole is sourced from PubChem (CID 64867718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).