4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

C10H7Cl2F3N4 — CID 106768572

IUPAC4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1nn(-c2cc(Cl)nc(C(F)(F)F)n2)c(C)c1Cl
InChIInChI=1S/C10H7Cl2F3N4/c1-4-8(12)5(2)19(18-4)7-3-6(11)16-9(17-7)10(13,14)15/h3H,1-2H3
InChIKeyGIHRQGBXAQQPMC-UHFFFAOYSA-N
MW311.09 g/mol
LogP3.60
Rot. Bonds1

About 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 106768572) has the molecular formula C10H7Cl2F3N4 and a molecular weight of 311.09 g/mol. Its IUPAC name is 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID106768572
Molecular FormulaC10H7Cl2F3N4
Molecular Weight311.09 g/mol
Exact Mass310.00
IUPAC Name4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESCc1nn(-c2cc(Cl)nc(C(F)(F)F)n2)c(C)c1Cl
InChIInChI=1S/C10H7Cl2F3N4/c1-4-8(12)5(2)19(18-4)7-3-6(11)16-9(17-7)10(13,14)15/h3H,1-2H3
InChIKeyGIHRQGBXAQQPMC-UHFFFAOYSA-N
XLogP3.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.09
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716265
2-chloro-4-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyridine
CID 102716260
4-chloro-6-(3,5-diethyl-1,2,4-triazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768588
2-(trifluoromethyl)-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-amine
CID 106773470
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-chloro-4-(trifluoromethyl)pyridine
CID 102716266
2-chloro-6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 102716261
4-chloro-6-imidazol-1-yl-2-(trifluoromethyl)pyrimidine
CID 106768557
4-(4-tert-butylpiperazin-1-yl)-6-chloro-2-(trifluoromethyl)pyrimidine
CID 106767317
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-2,2,6,6-tetramethylmorpholine
CID 106768492
4-chloro-6-(2-methylpyrrolidin-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106767266
4-chloro-6-(4-chloropyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 106768563
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80856712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine (CID 106768572) is 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is Cc1nn(-c2cc(Cl)nc(C(F)(F)F)n2)c(C)c1Cl.
What is the InChIKey of 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is GIHRQGBXAQQPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3N4/c1-4-8(12)5(2)19(18-4)7-3-6(11)16-9(17-7)10(13,14)15/h3H,1-2H3.
What are the key properties of 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 311.09 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106768572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).