N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide

C18H11ClF2N4O — CID 139012815

IUPACN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H11ClF2N4O/c1-10-6-16(25(24-10)13-4-2-12(19)3-5-13)23-18(26)17-14(20)7-11(9-22)8-15(17)21/h2-8H,1H3,(H,23,26)
InChIKeyUGOARLDCLIGOET-UHFFFAOYSA-N
MW372.76 g/mol
LogP4.24
Rot. Bonds3

About N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide

N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide (PubChem CID 139012815) has the molecular formula C18H11ClF2N4O and a molecular weight of 372.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide
PubChem CID139012815
Molecular FormulaC18H11ClF2N4O
Molecular Weight372.76 g/mol
Exact Mass372.06
IUPAC NameN-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide
SMILESCc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H11ClF2N4O/c1-10-6-16(25(24-10)13-4-2-12(19)3-5-13)23-18(26)17-14(20)7-11(9-22)8-15(17)21/h2-8H,1H3,(H,23,26)
InChIKeyUGOARLDCLIGOET-UHFFFAOYSA-N
XLogP4.24
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 112823648
2-bromo-N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 78835917
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546
5-(4-chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 15988870
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]pyridine-4-carboxamide
CID 71943772
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 108732661

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide (CID 139012815) is N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide is Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide?
The InChIKey is UGOARLDCLIGOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4O/c1-10-6-16(25(24-10)13-4-2-12(19)3-5-13)23-18(26)17-14(20)7-11(9-22)8-15(17)21/h2-8H,1H3,(H,23,26).
What are the key properties of N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide?
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide has a molecular weight of 372.76 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide is sourced from PubChem (CID 139012815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).