3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C13H8ClF6N5 — CID 3820364

IUPAC3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3cnn(C)c3C(F)(F)F)c(Cl)c2n1
InChIInChI=1S/C13H8ClF6N5/c1-5-3-7(12(15,16)17)25-11(22-5)8(14)9(23-25)6-4-21-24(2)10(6)13(18,19)20/h3-4H,1-2H3
InChIKeyOIVHYHWKCXXORS-UHFFFAOYSA-N
MW383.68 g/mol
LogP4.13
Rot. Bonds1

About 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 3820364) has the molecular formula C13H8ClF6N5 and a molecular weight of 383.68 g/mol. Its IUPAC name is 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID3820364
Molecular FormulaC13H8ClF6N5
Molecular Weight383.68 g/mol
Exact Mass383.04
IUPAC Name3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C(F)(F)F)n2nc(-c3cnn(C)c3C(F)(F)F)c(Cl)c2n1
InChIInChI=1S/C13H8ClF6N5/c1-5-3-7(12(15,16)17)25-11(22-5)8(14)9(23-25)6-4-21-24(2)10(6)13(18,19)20/h3-4H,1-2H3
InChIKeyOIVHYHWKCXXORS-UHFFFAOYSA-N
XLogP4.13
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 3820364) is 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1cc(C(F)(F)F)n2nc(-c3cnn(C)c3C(F)(F)F)c(Cl)c2n1.
What is the InChIKey of 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is OIVHYHWKCXXORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF6N5/c1-5-3-7(12(15,16)17)25-11(22-5)8(14)9(23-25)6-4-21-24(2)10(6)13(18,19)20/h3-4H,1-2H3.
What are the key properties of 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 383.68 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3820364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).