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

C17H15F2N5O — CID 4658524

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C17H15F2N5O/c1-9-6-10(2)21-17(20-9)24-15(7-11(3)23-24)22-16(25)13-5-4-12(18)8-14(13)19/h4-8H,1-3H3,(H,22,25)
InChIKeyZCAOAYRMOXJCQJ-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.12
Rot. Bonds3

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

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide (PubChem CID 4658524) has the molecular formula C17H15F2N5O and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
PubChem CID4658524
Molecular FormulaC17H15F2N5O
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(F)cc2F)n1
InChIInChI=1S/C17H15F2N5O/c1-9-6-10(2)21-17(20-9)24-15(7-11(3)23-24)22-16(25)13-5-4-12(18)8-14(13)19/h4-8H,1-3H3,(H,22,25)
InChIKeyZCAOAYRMOXJCQJ-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide (CID 4658524) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(F)cc2F)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide?
The InChIKey is ZCAOAYRMOXJCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5O/c1-9-6-10(2)21-17(20-9)24-15(7-11(3)23-24)22-16(25)13-5-4-12(18)8-14(13)19/h4-8H,1-3H3,(H,22,25).
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide 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 N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 4658524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).