6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine

C13H8ClF3N4 — CID 1478913

IUPAC6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc(-c3ncc(C(F)(F)F)cc3Cl)cn2n1
InChIInChI=1S/C13H8ClF3N4/c1-7-2-11-18-4-8(6-21(11)20-7)12-10(14)3-9(5-19-12)13(15,16)17/h2-6H,1H3
InChIKeyMADVGTOBEDITFO-UHFFFAOYSA-N
MW312.68 g/mol
LogP3.77
Rot. Bonds1

About 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine

6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 1478913) has the molecular formula C13H8ClF3N4 and a molecular weight of 312.68 g/mol. Its IUPAC name is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID1478913
Molecular FormulaC13H8ClF3N4
Molecular Weight312.68 g/mol
Exact Mass312.04
IUPAC Name6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2ncc(-c3ncc(C(F)(F)F)cc3Cl)cn2n1
InChIInChI=1S/C13H8ClF3N4/c1-7-2-11-18-4-8(6-21(11)20-7)12-10(14)3-9(5-19-12)13(15,16)17/h2-6H,1H3
InChIKeyMADVGTOBEDITFO-UHFFFAOYSA-N
XLogP3.77
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.68
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine (CID 1478913) is 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2ncc(-c3ncc(C(F)(F)F)cc3Cl)cn2n1.
What is the InChIKey of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is MADVGTOBEDITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3N4/c1-7-2-11-18-4-8(6-21(11)20-7)12-10(14)3-9(5-19-12)13(15,16)17/h2-6H,1H3.
What are the key properties of 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine?
6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 312.68 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1478913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).