5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole

C11H11ClN2O — CID 116869044

IUPAC5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole
SMILESCOc1c(C)cc(Cl)cc1-c1ccn[nH]1
InChIInChI=1S/C11H11ClN2O/c1-7-5-8(12)6-9(11(7)15-2)10-3-4-13-14-10/h3-6H,1-2H3,(H,13,14)
InChIKeyUFBNSMPISKNJBX-UHFFFAOYSA-N
MW222.68 g/mol
LogP3.05
Rot. Bonds2

About 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole

5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole (PubChem CID 116869044) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole
PubChem CID116869044
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole
SMILESCOc1c(C)cc(Cl)cc1-c1ccn[nH]1
InChIInChI=1S/C11H11ClN2O/c1-7-5-8(12)6-9(11(7)15-2)10-3-4-13-14-10/h3-6H,1-2H3,(H,13,14)
InChIKeyUFBNSMPISKNJBX-UHFFFAOYSA-N
XLogP3.05
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxy-2,5-dimethylphenyl)-1H-pyrazole
CID 116869027
[5-(5-chloro-2-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanethiol
CID 116879196
4-bromo-3-(5-chloro-2-methoxy-3-methylphenyl)-5-methyl-1H-pyrazole
CID 116856682
[6-(5-chloro-2-methoxy-3-methylphenyl)pyridazin-3-yl]methanamine
CID 82303524
5-(5-chloro-2-methoxy-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3570755
2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82486872
5-(2,3-dichloro-4-methylphenyl)-1H-pyrazole
CID 150121875
5-chloro-2-methoxy-4-(1H-pyrazol-5-yl)pyridine
CID 175726727
5-(5-ethyl-2-methoxyphenyl)-1H-pyrazole
CID 116869035
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848
5-(1-methoxynaphthalen-2-yl)-1H-pyrazole
CID 10376338
5-(2,4,5-trichlorophenyl)-1H-pyrazole
CID 155970267

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole?
The IUPAC name of 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole (CID 116869044) is 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole?
The canonical SMILES for 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole is COc1c(C)cc(Cl)cc1-c1ccn[nH]1.
What is the InChIKey of 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole?
The InChIKey is UFBNSMPISKNJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-5-8(12)6-9(11(7)15-2)10-3-4-13-14-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole?
5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole has a molecular weight of 222.68 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 116869044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).