3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide

C16H12F4N4O2 — CID 139532938

IUPAC3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nn2cnccc2c1CNC(=O)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C16H12F4N4O2/c1-9-11(13-4-5-21-8-24(13)23-9)7-22-15(25)10-2-3-14(12(17)6-10)26-16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25)
InChIKeySLKGXBDVYOZOOH-UHFFFAOYSA-N
MW368.29 g/mol
LogP3.01
Rot. Bonds4

About 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide

3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 139532938) has the molecular formula C16H12F4N4O2 and a molecular weight of 368.29 g/mol. Its IUPAC name is 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide
PubChem CID139532938
Molecular FormulaC16H12F4N4O2
Molecular Weight368.29 g/mol
Exact Mass368.09
IUPAC Name3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide
SMILESCc1nn2cnccc2c1CNC(=O)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C16H12F4N4O2/c1-9-11(13-4-5-21-8-24(13)23-9)7-22-15(25)10-2-3-14(12(17)6-10)26-16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25)
InChIKeySLKGXBDVYOZOOH-UHFFFAOYSA-N
XLogP3.01
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 137453498
3-fluoro-N-[(3-methylbenzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 146590814
N-[(3-amino-6-cyclopropyl-2-methanimidoylphenyl)methyl]-3-fluoro-4-(trifluoromethoxy)benzamide
CID 146643011
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-one
CID 146009340
2-(3-methyl-2-oxobutyl)-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 149184622
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,2-dimethylbutan-1-one
CID 135133798
4-fluoro-N-[(5-methoxy-3-methylbenzimidazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 137453696
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide
CID 166432051

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide (CID 139532938) is 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide is Cc1nn2cnccc2c1CNC(=O)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is SLKGXBDVYOZOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O2/c1-9-11(13-4-5-21-8-24(13)23-9)7-22-15(25)10-2-3-14(12(17)6-10)26-16(18,19)20/h2-6,8H,7H2,1H3,(H,22,25).
What are the key properties of 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide?
3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 368.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-methylpyrazolo[1,5-c]pyrimidin-3-yl)methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 139532938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).