5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole

C10H7ClF2N2O — CID 154218730

IUPAC5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)Oc1ccc(Cl)cc1-c1ccn[nH]1
InChIInChI=1S/C10H7ClF2N2O/c11-6-1-2-9(16-10(12)13)7(5-6)8-3-4-14-15-8/h1-5,10H,(H,14,15)
InChIKeyYABYGRDANAUJFA-UHFFFAOYSA-N
MW244.63 g/mol
LogP3.33
Rot. Bonds3

About 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole

5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 154218730) has the molecular formula C10H7ClF2N2O and a molecular weight of 244.63 g/mol. Its IUPAC name is 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole
PubChem CID154218730
Molecular FormulaC10H7ClF2N2O
Molecular Weight244.63 g/mol
Exact Mass244.02
IUPAC Name5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)Oc1ccc(Cl)cc1-c1ccn[nH]1
InChIInChI=1S/C10H7ClF2N2O/c11-6-1-2-9(16-10(12)13)7(5-6)8-3-4-14-15-8/h1-5,10H,(H,14,15)
InChIKeyYABYGRDANAUJFA-UHFFFAOYSA-N
XLogP3.33
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-(1H-pyrazol-3-yl)phenol
CID 87756
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(2-Methoxyphenyl)-1H-pyrazole
CID 2736764
2,4-dichloro-6-(1H-pyrazol-5-yl)phenol
CID 4412670
4-chloro-2-(5-(2-methoxyphenyl)-1H-pyrazol-3-yl)phenol
CID 662360
4-Chloro-2-[5-(trifluoromethyl)pyrazol-3-yl]phenol
CID 690714
Pyrazole, 4-amino-5-(o-methoxyphenyl)-, hydrochloride
CID 13303418
3-(5-chloro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 3707455
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
CID 118531698
4-chloro-3-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
CID 61394913
5-(2-phenoxyphenyl)-1H-pyrazole
CID 90896725

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole (CID 154218730) is 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole is FC(F)Oc1ccc(Cl)cc1-c1ccn[nH]1.
What is the InChIKey of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is YABYGRDANAUJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O/c11-6-1-2-9(16-10(12)13)7(5-6)8-3-4-14-15-8/h1-5,10H,(H,14,15).
What are the key properties of 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole?
5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 244.63 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 154218730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).