3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid

C10H5ClF2N2O2 — CID 117400123

IUPAC3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c(F)cc(Cl)cc2F)n[nH]1
InChIInChI=1S/C10H5ClF2N2O2/c11-4-1-5(12)9(6(13)2-4)7-3-8(10(16)17)15-14-7/h1-3H,(H,14,15)(H,16,17)
InChIKeyTZPYEQGAKOVGSZ-UHFFFAOYSA-N
MW258.61 g/mol
LogP2.71
Rot. Bonds2

About 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid

3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid (PubChem CID 117400123) has the molecular formula C10H5ClF2N2O2 and a molecular weight of 258.61 g/mol. Its IUPAC name is 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
PubChem CID117400123
Molecular FormulaC10H5ClF2N2O2
Molecular Weight258.61 g/mol
Exact Mass258.00
IUPAC Name3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2c(F)cc(Cl)cc2F)n[nH]1
InChIInChI=1S/C10H5ClF2N2O2/c11-4-1-5(12)9(6(13)2-4)7-3-8(10(16)17)15-14-7/h1-3H,(H,14,15)(H,16,17)
InChIKeyTZPYEQGAKOVGSZ-UHFFFAOYSA-N
XLogP2.71
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.61
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2,4,6-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117443210
3-(3,6-dichloro-2-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 117439401
3-(3-chloro-2-fluoro-5,6-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136932431
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117429469
3-[2-(dimethylamino)-3,6-difluorophenyl]-1H-pyrazole-5-carboxylic acid
CID 115111350
3-(2,6-difluoro-3-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117419269
3-(3-fluoro-6-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117378395
3-(6-bromo-2-fluoro-3,4-dihydroxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 136995060
3-(4-bromo-2,3,5-trifluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 115111378
3-(3-bromo-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592596
3-(2-chloro-4-fluorophenyl)-1H-pyrazole-5-carboxylic acid
CID 64592198
3-[4-chloro-2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 115111366

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid (CID 117400123) is 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2c(F)cc(Cl)cc2F)n[nH]1.
What is the InChIKey of 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is TZPYEQGAKOVGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O2/c11-4-1-5(12)9(6(13)2-4)7-3-8(10(16)17)15-14-7/h1-3H,(H,14,15)(H,16,17).
What are the key properties of 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid?
3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 258.61 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2,6-difluorophenyl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 117400123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).