3-(4-chloro-2-methylphenyl)-1-methylpyrazole

C11H11ClN2 — CID 176555071

IUPAC3-(4-chloro-2-methylphenyl)-1-methylpyrazole
SMILESCc1cc(Cl)ccc1-c1ccn(C)n1
InChIInChI=1S/C11H11ClN2/c1-8-7-9(12)3-4-10(8)11-5-6-14(2)13-11/h3-7H,1-2H3
InChIKeyBUQSCAVVFITNNI-UHFFFAOYSA-N
MW206.68 g/mol
LogP3.05
Rot. Bonds1

About 3-(4-chloro-2-methylphenyl)-1-methylpyrazole

3-(4-chloro-2-methylphenyl)-1-methylpyrazole (PubChem CID 176555071) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenyl)-1-methylpyrazole
PubChem CID176555071
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name3-(4-chloro-2-methylphenyl)-1-methylpyrazole
SMILESCc1cc(Cl)ccc1-c1ccn(C)n1
InChIInChI=1S/C11H11ClN2/c1-8-7-9(12)3-4-10(8)11-5-6-14(2)13-11/h3-7H,1-2H3
InChIKeyBUQSCAVVFITNNI-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621702
N-[[5-chloro-2-(1-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 103131639
4-chloro-6-(4-chloro-2-methylphenyl)pyrimidine
CID 24902067
2-(4-chloro-2-methylphenyl)-5-methylfuran
CID 123392462
5-chloro-2-(1-methylpyrazol-3-yl)pyridine
CID 162761078
4-(4-chlorophenyl)-2-(1-methylpyrazol-3-yl)benzonitrile
CID 168964782
N,4-dimethyl-3-(1-methylpyrazol-3-yl)aniline
CID 176940677
4-chloro-2-methyl-6-(1-methylpyrazol-3-yl)pyrimidine
CID 103132027
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
N-[(4-chloro-2-methylphenyl)methyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 113461526
4-methyl-2-(1-methylpyrazol-3-yl)benzoic acid
CID 103131531
4-methyl-3-(1-methylpyrazol-3-yl)benzoic acid
CID 103131524

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenyl)-1-methylpyrazole?
The IUPAC name of 3-(4-chloro-2-methylphenyl)-1-methylpyrazole (CID 176555071) is 3-(4-chloro-2-methylphenyl)-1-methylpyrazole.
What is the SMILES notation for 3-(4-chloro-2-methylphenyl)-1-methylpyrazole?
The canonical SMILES for 3-(4-chloro-2-methylphenyl)-1-methylpyrazole is Cc1cc(Cl)ccc1-c1ccn(C)n1.
What is the InChIKey of 3-(4-chloro-2-methylphenyl)-1-methylpyrazole?
The InChIKey is BUQSCAVVFITNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c1-8-7-9(12)3-4-10(8)11-5-6-14(2)13-11/h3-7H,1-2H3.
What are the key properties of 3-(4-chloro-2-methylphenyl)-1-methylpyrazole?
3-(4-chloro-2-methylphenyl)-1-methylpyrazole has a molecular weight of 206.68 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylphenyl)-1-methylpyrazole is sourced from PubChem (CID 176555071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).