4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine

C10H9ClF2N4 — CID 79823295

IUPAC4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(-n2nc(C(F)F)cc2Cl)nc(C)n1
InChIInChI=1S/C10H9ClF2N4/c1-5-3-9(15-6(2)14-5)17-8(11)4-7(16-17)10(12)13/h3-4,10H,1-2H3
InChIKeyQDBINDFXJKWTIY-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.87
Rot. Bonds2

About 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine

4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine (PubChem CID 79823295) has the molecular formula C10H9ClF2N4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine
PubChem CID79823295
Molecular FormulaC10H9ClF2N4
Molecular Weight258.66 g/mol
Exact Mass258.05
IUPAC Name4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine
SMILESCc1cc(-n2nc(C(F)F)cc2Cl)nc(C)n1
InChIInChI=1S/C10H9ClF2N4/c1-5-3-9(15-6(2)14-5)17-8(11)4-7(16-17)10(12)13/h3-4,10H,1-2H3
InChIKeyQDBINDFXJKWTIY-UHFFFAOYSA-N
XLogP2.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine
CID 911195
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
7-Chloro-2,5-dimethyl-(1,2,4)triazolo(1,5-a)pyrimidine
CID 15575744
4-chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidine
CID 40458683
7-Chloro-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1500131
7-Chloro-2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 13019083
7-Chloro-2,5-dimethylpyrazolo(1,5-a)pyrimidine
CID 18406987
7-Chloro-2-methylpyrazolo(1,5-a)pyrimidin-5-amine
CID 44251307
5,7-Dichloro-2-methylpyrazolo[1,5-A]pyrimidine
CID 49761534
3-Bromo-7-chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 59777412
7-Chloro-5-methyl-2-propyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 6625149
7-Chloro-5-(chloromethyl)-2,3-dimethylpyrazolo(1,5-a)pyrimidine
CID 137935605

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine?
The IUPAC name of 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine (CID 79823295) is 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine.
What is the SMILES notation for 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine?
The canonical SMILES for 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine is Cc1cc(-n2nc(C(F)F)cc2Cl)nc(C)n1.
What is the InChIKey of 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine?
The InChIKey is QDBINDFXJKWTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2N4/c1-5-3-9(15-6(2)14-5)17-8(11)4-7(16-17)10(12)13/h3-4,10H,1-2H3.
What are the key properties of 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine?
4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine has a molecular weight of 258.66 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-3-(difluoromethyl)pyrazol-1-yl]-2,6-dimethylpyrimidine is sourced from PubChem (CID 79823295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).