3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide

C21H15F2N3O — CID 86947975

IUPAC3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3ccccc3c2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C21H15F2N3O/c1-26-12-18(20(25-26)17-9-7-15(22)11-19(17)23)21(27)24-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,24,27)
InChIKeyFIUWJKPIAGZYRY-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.77
Rot. Bonds3

About 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide

3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide (PubChem CID 86947975) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
PubChem CID86947975
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc3ccccc3c2)c(-c2ccc(F)cc2F)n1
InChIInChI=1S/C21H15F2N3O/c1-26-12-18(20(25-26)17-9-7-15(22)11-19(17)23)21(27)24-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,24,27)
InChIKeyFIUWJKPIAGZYRY-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
CID 86948177
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86956500
3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide
CID 86948264
3-(2,4-difluorophenyl)-1-methyl-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 86948325
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86964000
3-(2,4-difluorophenyl)-1-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 95900693
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948212
methyl N-[4-[[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]methyl]phenyl]carbamate
CID 86948179
3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948216
3-(2,4-difluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 86948039
3-(2,4-difluorophenyl)-1-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 86949234
N'-(4-bromobenzoyl)-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 86947969

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide (CID 86947975) is 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc3ccccc3c2)c(-c2ccc(F)cc2F)n1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide?
The InChIKey is FIUWJKPIAGZYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c1-26-12-18(20(25-26)17-9-7-15(22)11-19(17)23)21(27)24-16-8-6-13-4-2-3-5-14(13)10-16/h2-12H,1H3,(H,24,27).
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide?
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide has a molecular weight of 363.37 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 86947975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).