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

C12H13ClF3N3 — CID 82270017

IUPAC7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCC(CC)c1cc2nc(C(F)(F)F)cc(Cl)n2n1
InChIInChI=1S/C12H13ClF3N3/c1-3-7(4-2)8-5-11-17-9(12(14,15)16)6-10(13)19(11)18-8/h5-7H,3-4H2,1-2H3
InChIKeyBDEWBNWZNJSLEK-UHFFFAOYSA-N
MW291.70 g/mol
LogP4.31
Rot. Bonds3

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

7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82270017) has the molecular formula C12H13ClF3N3 and a molecular weight of 291.70 g/mol. Its IUPAC name is 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82270017
Molecular FormulaC12H13ClF3N3
Molecular Weight291.70 g/mol
Exact Mass291.08
IUPAC Name7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCC(CC)c1cc2nc(C(F)(F)F)cc(Cl)n2n1
InChIInChI=1S/C12H13ClF3N3/c1-3-7(4-2)8-5-11-17-9(12(14,15)16)6-10(13)19(11)18-8/h5-7H,3-4H2,1-2H3
InChIKeyBDEWBNWZNJSLEK-UHFFFAOYSA-N
XLogP4.31
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.70
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 82270017) is 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCC(CC)c1cc2nc(C(F)(F)F)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BDEWBNWZNJSLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3/c1-3-7(4-2)8-5-11-17-9(12(14,15)16)6-10(13)19(11)18-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 291.70 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82270017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).