3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol

C11H8Cl2F2N2O2 — CID 137317051

IUPAC3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol
SMILESCn1nc(-c2ccc(O)cc2Cl)c(Cl)c1OC(F)F
InChIInChI=1S/C11H8Cl2F2N2O2/c1-17-10(19-11(14)15)8(13)9(16-17)6-3-2-5(18)4-7(6)12/h2-4,11,18H,1H3
InChIKeyPJGMMXTUJMXPOJ-UHFFFAOYSA-N
MW309.10 g/mol
LogP3.70
Rot. Bonds3

About 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol

3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol (PubChem CID 137317051) has the molecular formula C11H8Cl2F2N2O2 and a molecular weight of 309.10 g/mol. Its IUPAC name is 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol
PubChem CID137317051
Molecular FormulaC11H8Cl2F2N2O2
Molecular Weight309.10 g/mol
Exact Mass307.99
IUPAC Name3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol
SMILESCn1nc(-c2ccc(O)cc2Cl)c(Cl)c1OC(F)F
InChIInChI=1S/C11H8Cl2F2N2O2/c1-17-10(19-11(14)15)8(13)9(16-17)6-3-2-5(18)4-7(6)12/h2-4,11,18H,1H3
InChIKeyPJGMMXTUJMXPOJ-UHFFFAOYSA-N
XLogP3.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzoyl chloride
CID 15346389
2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]benzaldehyde
CID 15672172
2-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]ethanethioic S-acid
CID 151453287
6-chloro-3-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-2-methoxypyridine
CID 11558853
2-chloro-3-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]prop-2-enoate
CID 152757147
2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-N-(methylsulfamoyl)aniline
CID 15672100
N-[[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenyl]methylidene]hydroxylamine
CID 139754448
4-chloro-3-[4-chloro-5-(2-chloroethenyl)-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 173324438
[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]hydrazine
CID 22621703
4-chloro-3-(4-chloro-2-fluoro-5-prop-2-enoxyphenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 15672198
1-N-[2,4-dichloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenyl]propane-1,2-diamine;propanoic acid
CID 173313258
4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-5-fluoro-2-methylsulfanylbenzonitrile
CID 54428190

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol?
The IUPAC name of 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol (CID 137317051) is 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol.
What is the SMILES notation for 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol?
The canonical SMILES for 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol is Cn1nc(-c2ccc(O)cc2Cl)c(Cl)c1OC(F)F.
What is the InChIKey of 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol?
The InChIKey is PJGMMXTUJMXPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F2N2O2/c1-17-10(19-11(14)15)8(13)9(16-17)6-3-2-5(18)4-7(6)12/h2-4,11,18H,1H3.
What are the key properties of 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol?
3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol has a molecular weight of 309.10 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]phenol is sourced from PubChem (CID 137317051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).