3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole

C11H9ClF2N2O — CID 15220184

IUPAC3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2)cc1OC(F)F
InChIInChI=1S/C11H9ClF2N2O/c1-16-10(17-11(13)14)6-9(15-16)7-2-4-8(12)5-3-7/h2-6,11H,1H3
InChIKeyNULKZLNCFGGULL-UHFFFAOYSA-N
MW258.66 g/mol
LogP3.34
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole

3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15220184) has the molecular formula C11H9ClF2N2O and a molecular weight of 258.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15220184
Molecular FormulaC11H9ClF2N2O
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2)cc1OC(F)F
InChIInChI=1S/C11H9ClF2N2O/c1-16-10(17-11(13)14)6-9(15-16)7-2-4-8(12)5-3-7/h2-6,11H,1H3
InChIKeyNULKZLNCFGGULL-UHFFFAOYSA-N
XLogP3.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
US11576897, Example 224
CID 142401752
4-[(4-Ethylphenyl)methyl]-3-methoxy-1-methyl-5-(trifluoromethyl)pyrazole
CID 10851605
1-(4-chlorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 53542843
3-Chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazole
CID 44241548
3-Chloro-5-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 44256427
5-(Difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole
CID 4118684
1-benzyl-3-(difluoromethyl)-5-ethoxy-1H-pyrazole
CID 75454665
5-Chloro-3-(4-methoxyphenyl)-1-methyl-4-(2,4,6-trifluorophenyl)pyrazole
CID 135024577
5-chloro-3-(4-methoxyphenyl)-1-methyl-1H-pyrazole
CID 12035669
1-(4-chlorobenzyl)-3,5-bis[4-(difluoromethoxy)phenyl]-1H-pyrazole
CID 17025640

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 15220184) is 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(-c2ccc(Cl)cc2)cc1OC(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is NULKZLNCFGGULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2O/c1-16-10(17-11(13)14)6-9(15-16)7-2-4-8(12)5-3-7/h2-6,11H,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 258.66 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15220184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).