2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

C17H15F2N5O — CID 71789825

IUPAC2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nn(-c2ncc(NC(=O)c3c(F)cccc3F)cn2)c(C)c1C
InChIInChI=1S/C17H15F2N5O/c1-9-10(2)23-24(11(9)3)17-20-7-12(8-21-17)22-16(25)15-13(18)5-4-6-14(15)19/h4-8H,1-3H3,(H,22,25)
InChIKeyRJQLNLFIRUSGCG-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.12
Rot. Bonds3

About 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 71789825) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID71789825
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1nn(-c2ncc(NC(=O)c3c(F)cccc3F)cn2)c(C)c1C
InChIInChI=1S/C17H15F2N5O/c1-9-10(2)23-24(11(9)3)17-20-7-12(8-21-17)22-16(25)15-13(18)5-4-6-14(15)19/h4-8H,1-3H3,(H,22,25)
InChIKeyRJQLNLFIRUSGCG-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.12
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
3-bromo-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300762
4-(trifluoromethyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112535
2,4,5-trifluoro-3-methoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300701
4-methyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]thiadiazole-5-carboxamide
CID 71789831
4-nitro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300769
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
3-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112541
3,4,5-trimethoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112526
2-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 122300594
4-phenyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]butanamide
CID 121112542
5-pyridin-3-yl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,2-oxazole-3-carboxamide
CID 122300733

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (CID 71789825) is 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is Cc1nn(-c2ncc(NC(=O)c3c(F)cccc3F)cn2)c(C)c1C.
What is the InChIKey of 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is RJQLNLFIRUSGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-9-10(2)23-24(11(9)3)17-20-7-12(8-21-17)22-16(25)15-13(18)5-4-6-14(15)19/h4-8H,1-3H3,(H,22,25).
What are the key properties of 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 343.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 71789825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).