1-(3-chlorophenyl)-3,5-dimethylpyrazole

C11H11ClN2 — CID 39241493

IUPAC1-(3-chlorophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H11ClN2/c1-8-6-9(2)14(13-8)11-5-3-4-10(12)7-11/h3-7H,1-2H3
InChIKeyBZHHNEUXYGUTMY-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.14
Rot. Bonds1

About 1-(3-chlorophenyl)-3,5-dimethylpyrazole

1-(3-chlorophenyl)-3,5-dimethylpyrazole (PubChem CID 39241493) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,5-dimethylpyrazole
PubChem CID39241493
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-(3-chlorophenyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H11ClN2/c1-8-6-9(2)14(13-8)11-5-3-4-10(12)7-11/h3-7H,1-2H3
InChIKeyBZHHNEUXYGUTMY-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-methyl-
CID 170301
Dimethylphenylpyrazole
CID 70800
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
1-(5-Chloro-2-nitrophenyl)-3,5-dimethylpyrazole
CID 773529
1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-amine
CID 1810630
4-bromo-3,5-dimethyl-1-phenyl-1H-pyrazole
CID 7039162
4-(3,5-dimethyl-1H-pyrazol-1-yl)aniline
CID 714550
2-Chloro-6-(3,5-dimethylpyrazol-1-yl)benzonitrile
CID 2804374
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6483733
1-ethyl-3,5-dimethyl-2-phenyl-1H-pyrazol-2-ium iodide
CID 16188343
1-(3-chlorophenyl)-1H-pyrazole
CID 12238133

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(3-chlorophenyl)-3,5-dimethylpyrazole (CID 39241493) is 1-(3-chlorophenyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(3-chlorophenyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(3-chlorophenyl)-3,5-dimethylpyrazole is Cc1cc(C)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3,5-dimethylpyrazole?
The InChIKey is BZHHNEUXYGUTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-8-6-9(2)14(13-8)11-5-3-4-10(12)7-11/h3-7H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3,5-dimethylpyrazole?
1-(3-chlorophenyl)-3,5-dimethylpyrazole has a molecular weight of 206.68 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 39241493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).