5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole

C11H11ClN2O — CID 12035669

IUPAC5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2cc(Cl)n(C)n2)cc1
InChIInChI=1S/C11H11ClN2O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3
InChIKeyVUTQRGIYLJPGOR-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.75
Rot. Bonds2

About 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole

5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole (PubChem CID 12035669) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole
PubChem CID12035669
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole
SMILESCOc1ccc(-c2cc(Cl)n(C)n2)cc1
InChIInChI=1S/C11H11ClN2O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3
InChIKeyVUTQRGIYLJPGOR-UHFFFAOYSA-N
XLogP2.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
3-Chloro-6-(4-methoxyphenyl)pyridazine
CID 12257501
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
4-(4-Chloro-phenyl)-7-methoxy-1,2-dihydro-3,9,9a-triaza-fluorene
CID 25102508
5-(2-Methoxyphenyl)-1-methyl-1H-pyrazole
CID 21722232
1-(4-Chlorophenyl)-2-[5-(hydroxymethyl)-3-(4-methoxyphenyl)pyrazol-1-yl]ethanol
CID 50908377
2-(4-Chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(4-pentoxyphenyl)-4,5-dihydro-1,3-oxazole
CID 56965178
(E)-N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 168273871
3-(4-Butoxyphenyl)-1-methylpyrazole
CID 11229979
3-(4-Methoxyphenyl)-1-methyl-5-phenylpyrazole
CID 12121022
5-(3-Methoxyphenyl)-1-methyl-3-phenylpyrazole
CID 44451823
3-(4-Methoxyphenyl)-1-methyl-1H-pyrazol-5-amine
CID 6484153

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole?
The IUPAC name of 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole (CID 12035669) is 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole?
The canonical SMILES for 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole is COc1ccc(-c2cc(Cl)n(C)n2)cc1.
What is the InChIKey of 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole?
The InChIKey is VUTQRGIYLJPGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-11(12)7-10(13-14)8-3-5-9(15-2)6-4-8/h3-7H,1-2H3.
What are the key properties of 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole?
5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole has a molecular weight of 222.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methoxyphenyl)-1-methylpyrazole is sourced from PubChem (CID 12035669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).