3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H11ClF3N3 — CID 155050640

IUPAC3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C(C)C)c(Cl)c2n1
InChIInChI=1S/C11H11ClF3N3/c1-5(2)9-8(12)10-16-6(3)4-7(11(13,14)15)18(10)17-9/h4-5H,1-3H3
InChIKeyPFLBALQGSVVAJA-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.83
Rot. Bonds1

About 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 155050640) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID155050640
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(C(C)C)c(Cl)c2n1
InChIInChI=1S/C11H11ClF3N3/c1-5(2)9-8(12)10-16-6(3)4-7(11(13,14)15)18(10)17-9/h4-5H,1-3H3
InChIKeyPFLBALQGSVVAJA-UHFFFAOYSA-N
XLogP3.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine
CID 3611062
2-Methyl-9-(trifluoromethyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
CID 754722
2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477871
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
3-chloro-2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477880
2,5-Dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 753093
5-Methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821597
2-(Cyanomethyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 230936
2-(Tert-butyl)-3-chloro-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2821672
3-Bromo-2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819672
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
5-Tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2971734

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 155050640) is 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(C(C)C)c(Cl)c2n1.
What is the InChIKey of 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PFLBALQGSVVAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3/c1-5(2)9-8(12)10-16-6(3)4-7(11(13,14)15)18(10)17-9/h4-5H,1-3H3.
What are the key properties of 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 277.68 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 155050640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).