7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C11H11ClF3N3 — CID 104621643

IUPAC7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1c(C(F)(F)F)nc2cc(C(C)C)nn2c1Cl
InChIInChI=1S/C11H11ClF3N3/c1-5(2)7-4-8-16-9(11(13,14)15)6(3)10(12)18(8)17-7/h4-5H,1-3H3
InChIKeyGVJZGHPWJHUTCM-UHFFFAOYSA-N
MW277.68 g/mol
LogP3.83
Rot. Bonds1

About 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 104621643) has the molecular formula C11H11ClF3N3 and a molecular weight of 277.68 g/mol. Its IUPAC name is 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID104621643
Molecular FormulaC11H11ClF3N3
Molecular Weight277.68 g/mol
Exact Mass277.06
IUPAC Name7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1c(C(F)(F)F)nc2cc(C(C)C)nn2c1Cl
InChIInChI=1S/C11H11ClF3N3/c1-5(2)7-4-8-16-9(11(13,14)15)6(3)10(12)18(8)17-7/h4-5H,1-3H3
InChIKeyGVJZGHPWJHUTCM-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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 104621643) is 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1c(C(F)(F)F)nc2cc(C(C)C)nn2c1Cl.
What is the InChIKey of 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is GVJZGHPWJHUTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3/c1-5(2)7-4-8-16-9(11(13,14)15)6(3)10(12)18(8)17-7/h4-5H,1-3H3.
What are the key properties of 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-6-methyl-2-propan-2-yl-5-(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 7-chloro-6-methyl-2-propan-2-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 104621643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).