4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

C18H16F3N5O — CID 121112535

IUPAC4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nn(-c2ncc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)c(C)c1C
InChIInChI=1S/C18H16F3N5O/c1-10-11(2)25-26(12(10)3)17-22-8-15(9-23-17)24-16(27)13-4-6-14(7-5-13)18(19,20)21/h4-9H,1-3H3,(H,24,27)
InChIKeyBROSDIYSMLEIJW-UHFFFAOYSA-N
MW375.35 g/mol
LogP3.86
Rot. Bonds3

About 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 121112535) has the molecular formula C18H16F3N5O and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID121112535
Molecular FormulaC18H16F3N5O
Molecular Weight375.35 g/mol
Exact Mass375.13
IUPAC Name4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nn(-c2ncc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)c(C)c1C
InChIInChI=1S/C18H16F3N5O/c1-10-11(2)25-26(12(10)3)17-22-8-15(9-23-17)24-16(27)13-4-6-14(7-5-13)18(19,20)21/h4-9H,1-3H3,(H,24,27)
InChIKeyBROSDIYSMLEIJW-UHFFFAOYSA-N
XLogP3.86
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300685
4-nitro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300769
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 71789825
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526
N-(2-imidazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 121112592
4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
CID 71789831
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-2,1-benzoxazole-5-carboxamide
CID 122300728
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300701
N-(6-fluoro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 103789776

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (CID 121112535) is 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is Cc1nn(-c2ncc(NC(=O)c3ccc(C(F)(F)F)cc3)cn2)c(C)c1C.
What is the InChIKey of 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is BROSDIYSMLEIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O/c1-10-11(2)25-26(12(10)3)17-22-8-15(9-23-17)24-16(27)13-4-6-14(7-5-13)18(19,20)21/h4-9H,1-3H3,(H,24,27).
What are the key properties of 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 375.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 121112535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).