methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate

C11H9F2N3O2 — CID 75357925

IUPACmethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C11H9F2N3O2/c1-18-11(17)7-5-15-16(10(7)14)9-3-2-6(12)4-8(9)13/h2-5H,14H2,1H3
InChIKeyRYGPGISEONBLKV-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.52
Rot. Bonds2

About methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate

methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate (PubChem CID 75357925) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
PubChem CID75357925
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Namemethyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(-c2ccc(F)cc2F)c1N
InChIInChI=1S/C11H9F2N3O2/c1-18-11(17)7-5-15-16(10(7)14)9-3-2-6(12)4-8(9)13/h2-5H,14H2,1H3
InChIKeyRYGPGISEONBLKV-UHFFFAOYSA-N
XLogP1.52
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-1-(5-chloro-2-hydroxyphenyl)pyrazole-4-carboxylate
CID 82365471
methyl 5-amino-1-(2-ethylphenyl)pyrazole-4-carboxylate
CID 82365421
5-amino-1-(2-methoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365357
methyl 5-[[(4-chlorophenyl)carbamothioylhydrazinylidene]methyl]-1-(2,4-difluorophenyl)pyrazole-4-carboxylate
CID 2745686
methyl 2-amino-5-(2,4-difluorophenyl)pyridine-4-carboxylate
CID 172649615
methyl 5-amino-1-(6-chloroquinoxalin-2-yl)pyrazole-4-carboxylate
CID 102023309
5-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carboxylic acid
CID 28606361
methyl 3-[[1-(2,4-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]propanoate
CID 86207143
2-(2,4-difluorophenyl)-1,2,4-triazol-3-amine
CID 62677520
ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate
CID 55258068
ethyl 5-amino-1-(3,5-difluorophenyl)pyrazole-4-carboxylate
CID 83808189
methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate (CID 75357925) is methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate is COC(=O)c1cnn(-c2ccc(F)cc2F)c1N.
What is the InChIKey of methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate?
The InChIKey is RYGPGISEONBLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c1-18-11(17)7-5-15-16(10(7)14)9-3-2-6(12)4-8(9)13/h2-5H,14H2,1H3.
What are the key properties of methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate?
methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate has a molecular weight of 253.21 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(2,4-difluorophenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 75357925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).