4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide

C19H18F2N4O3 — CID 90271577

IUPAC4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2c(N)c(C(=O)Nc3c(F)cccc3F)nn2C)c1
InChIInChI=1S/C19H18F2N4O3/c1-25-18(11-9-10(27-2)7-8-14(11)28-3)15(22)17(24-25)19(26)23-16-12(20)5-4-6-13(16)21/h4-9H,22H2,1-3H3,(H,23,26)
InChIKeyGRWGCBLMPKHBFV-UHFFFAOYSA-N
MW388.37 g/mol
LogP3.22
Rot. Bonds5

About 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 90271577) has the molecular formula C19H18F2N4O3 and a molecular weight of 388.37 g/mol. Its IUPAC name is 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID90271577
Molecular FormulaC19H18F2N4O3
Molecular Weight388.37 g/mol
Exact Mass388.13
IUPAC Name4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2c(N)c(C(=O)Nc3c(F)cccc3F)nn2C)c1
InChIInChI=1S/C19H18F2N4O3/c1-25-18(11-9-10(27-2)7-8-14(11)28-3)15(22)17(24-25)19(26)23-16-12(20)5-4-6-13(16)21/h4-9H,22H2,1-3H3,(H,23,26)
InChIKeyGRWGCBLMPKHBFV-UHFFFAOYSA-N
XLogP3.22
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
N-(2,6-difluorophenyl)-N'-(2,5-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969640
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
N-(2,6-difluorophenyl)-2-(2,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109269969
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
N-(2,4-dimethoxyphenyl)-1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 22517030
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
4-amino-N-(2-bromo-6-fluorophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 107596248
6-N-(2,6-difluorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100970
4-amino-5-[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 90287686

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 90271577) is 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(OC)c(-c2c(N)c(C(=O)Nc3c(F)cccc3F)nn2C)c1.
What is the InChIKey of 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is GRWGCBLMPKHBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3/c1-25-18(11-9-10(27-2)7-8-14(11)28-3)15(22)17(24-25)19(26)23-16-12(20)5-4-6-13(16)21/h4-9H,22H2,1-3H3,(H,23,26).
What are the key properties of 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 388.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 90271577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).