7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C9H7ClF3N3O — CID 82270022

IUPAC7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc2nc(C(F)(F)F)cc(Cl)n2n1
InChIInChI=1S/C9H7ClF3N3O/c1-17-4-5-2-8-14-6(9(11,12)13)3-7(10)16(8)15-5/h2-3H,4H2,1H3
InChIKeyDFBMBFGQEKIUIG-UHFFFAOYSA-N
MW265.62 g/mol
LogP2.55
Rot. Bonds2

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

7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 82270022) has the molecular formula C9H7ClF3N3O and a molecular weight of 265.62 g/mol. Its IUPAC name is 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID82270022
Molecular FormulaC9H7ClF3N3O
Molecular Weight265.62 g/mol
Exact Mass265.02
IUPAC Name7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCOCc1cc2nc(C(F)(F)F)cc(Cl)n2n1
InChIInChI=1S/C9H7ClF3N3O/c1-17-4-5-2-8-14-6(9(11,12)13)3-7(10)16(8)15-5/h2-3H,4H2,1H3
InChIKeyDFBMBFGQEKIUIG-UHFFFAOYSA-N
XLogP2.55
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 82270022) is 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is COCc1cc2nc(C(F)(F)F)cc(Cl)n2n1.
What is the InChIKey of 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DFBMBFGQEKIUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O/c1-17-4-5-2-8-14-6(9(11,12)13)3-7(10)16(8)15-5/h2-3H,4H2,1H3.
What are the key properties of 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 265.62 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(methoxymethyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 82270022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).