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

C11H9ClF3N3 — CID 2821831

IUPAC3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)nc2c(Cl)c(C3CC3)nn12
InChIInChI=1S/C11H9ClF3N3/c1-5-4-7(11(13,14)15)16-10-8(12)9(6-2-3-6)17-18(5)10/h4,6H,2-3H2,1H3
InChIKeyROXUDLKEHKEDGC-UHFFFAOYSA-N
MW275.66 g/mol
LogP3.59
Rot. Bonds1

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

3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 2821831) has the molecular formula C11H9ClF3N3 and a molecular weight of 275.66 g/mol. Its IUPAC name is 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID2821831
Molecular FormulaC11H9ClF3N3
Molecular Weight275.66 g/mol
Exact Mass275.04
IUPAC Name3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)nc2c(Cl)c(C3CC3)nn12
InChIInChI=1S/C11H9ClF3N3/c1-5-4-7(11(13,14)15)16-10-8(12)9(6-2-3-6)17-18(5)10/h4,6H,2-3H2,1H3
InChIKeyROXUDLKEHKEDGC-UHFFFAOYSA-N
XLogP3.59
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-9-(trifluoromethyl)-5H,6H,7H,8H-pyrazolo[3,2-B]quinazoline
CID 754722
2-Chloro-5,7-dimethylpyrazolo [1,5-a]pyrimidine
CID 19380134
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-(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
7-Chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 63820991
2-tert-butyl-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 2821857
2-tert-butyl-3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 2821864
Pyrazolo[1,5-a]pyrimidine, 2-tert-butyl-3-chloro-5,7-dimethyl-
CID 617023

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 2821831) is 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)nc2c(Cl)c(C3CC3)nn12.
What is the InChIKey of 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is ROXUDLKEHKEDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3/c1-5-4-7(11(13,14)15)16-10-8(12)9(6-2-3-6)17-18(5)10/h4,6H,2-3H2,1H3.
What are the key properties of 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 275.66 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-cyclopropyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2821831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).