N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide

C14H16F2N4O — CID 115991700

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCc2cn(C)nc2C)cc1F
InChIInChI=1S/C14H16F2N4O/c1-8-10(7-20(3)19-8)6-18-14(21)9-4-11(15)13(17-2)12(16)5-9/h4-5,7,17H,6H2,1-3H3,(H,18,21)
InChIKeyZUFXTAZMRITMDE-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.98
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide (PubChem CID 115991700) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide
PubChem CID115991700
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide
SMILESCNc1c(F)cc(C(=O)NCc2cn(C)nc2C)cc1F
InChIInChI=1S/C14H16F2N4O/c1-8-10(7-20(3)19-8)6-18-14(21)9-4-11(15)13(17-2)12(16)5-9/h4-5,7,17H,6H2,1-3H3,(H,18,21)
InChIKeyZUFXTAZMRITMDE-UHFFFAOYSA-N
XLogP1.98
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-carboxamide
CID 115991703
3,5-difluoro-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63185983
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279610
4-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 112669921
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 112671955
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112668767
6-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 112671966
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
CID 107075896
1-N'-(2,6-difluorophenyl)-1-N-[(1,3-dimethylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 167819332
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 112670100

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide (CID 115991700) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide is CNc1c(F)cc(C(=O)NCc2cn(C)nc2C)cc1F.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide?
The InChIKey is ZUFXTAZMRITMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-8-10(7-20(3)19-8)6-18-14(21)9-4-11(15)13(17-2)12(16)5-9/h4-5,7,17H,6H2,1-3H3,(H,18,21).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide has a molecular weight of 294.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,5-difluoro-4-(methylamino)benzamide is sourced from PubChem (CID 115991700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).