methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate

C17H10ClF3N2O2 — CID 10522966

IUPACmethyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2cc(F)ccc2F)c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H10ClF3N2O2/c1-25-17(24)15-14(18)16(9-2-4-10(19)5-3-9)23(22-15)13-8-11(20)6-7-12(13)21/h2-8H,1H3
InChIKeyGMUZZPJFUZTWKW-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.40
Rot. Bonds3

About methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate

methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 10522966) has the molecular formula C17H10ClF3N2O2 and a molecular weight of 366.73 g/mol. Its IUPAC name is methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate
PubChem CID10522966
Molecular FormulaC17H10ClF3N2O2
Molecular Weight366.73 g/mol
Exact Mass366.04
IUPAC Namemethyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2cc(F)ccc2F)c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H10ClF3N2O2/c1-25-17(24)15-14(18)16(9-2-4-10(19)5-3-9)23(22-15)13-8-11(20)6-7-12(13)21/h2-8H,1H3
InChIKeyGMUZZPJFUZTWKW-UHFFFAOYSA-N
XLogP4.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)-N-phenylmethoxypyrazole-3-carboxamide
CID 139674011
methyl 4-chloro-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 10717305
methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(fluoromethyl)pyrazole-3-carboxylate
CID 19356254
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652126
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 4-chloro-1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazole-3-carboxylate
CID 63460052
phenyl N-[5-amino-3-(4-chlorophenyl)-1-(2,5-difluorophenyl)pyrazol-4-yl]carbamate
CID 42684864
5-(4-chlorophenyl)-1-(5-fluoro-2-methylphenyl)triazole-4-carboxylic acid
CID 56768812
methyl 4-(4-fluorophenyl)-1-methylpyrazole-3-carboxylate
CID 154672739
methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate
CID 718672
ethyl 4-chloro-1-(2,5-difluorophenyl)pyrazole-3-carboxylate
CID 155291590
2-[1-(2,4-dichlorophenyl)-3-[(4-fluorophenyl)carbamoyl]-5-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 69228719

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate (CID 10522966) is methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2cc(F)ccc2F)c(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is GMUZZPJFUZTWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N2O2/c1-25-17(24)15-14(18)16(9-2-4-10(19)5-3-9)23(22-15)13-8-11(20)6-7-12(13)21/h2-8H,1H3.
What are the key properties of methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate?
methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 366.73 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-1-(2,5-difluorophenyl)-5-(4-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 10522966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).