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4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C12H12ClF3N4 — CID 80978782

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H12ClF3N4/c1-6(2)10-18-9(13)7(3)11(19-10)20-5-8(4-17-20)12(14,15)16/h4-6H,1-3H3
InChIKeyFHFXVJXYUYSQCA-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.77
Rot. Bonds2

About 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 80978782) has the molecular formula C12H12ClF3N4 and a molecular weight of 304.70 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID80978782
Molecular FormulaC12H12ClF3N4
Molecular Weight304.70 g/mol
Exact Mass304.07
IUPAC Name4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCc1c(Cl)nc(C(C)C)nc1-n1cc(C(F)(F)F)cn1
InChIInChI=1S/C12H12ClF3N4/c1-6(2)10-18-9(13)7(3)11(19-10)20-5-8(4-17-20)12(14,15)16/h4-6H,1-3H3
InChIKeyFHFXVJXYUYSQCA-UHFFFAOYSA-N
XLogP3.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 80978782) is 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine is Cc1c(Cl)nc(C(C)C)nc1-n1cc(C(F)(F)F)cn1.
What is the InChIKey of 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is FHFXVJXYUYSQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N4/c1-6(2)10-18-9(13)7(3)11(19-10)20-5-8(4-17-20)12(14,15)16/h4-6H,1-3H3.
What are the key properties of 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 304.70 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-propan-2-yl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 80978782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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