3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C10H11F2N3 — CID 170175486

IUPAC3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccn2ncc(C(F)F)c2n1
InChIInChI=1S/C10H11F2N3/c1-6(2)8-3-4-15-10(14-8)7(5-13-15)9(11)12/h3-6,9H,1-2H3
InChIKeyGOOCABZOZNRBOI-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.79
Rot. Bonds2

About 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 170175486) has the molecular formula C10H11F2N3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID170175486
Molecular FormulaC10H11F2N3
Molecular Weight211.22 g/mol
Exact Mass211.09
IUPAC Name3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccn2ncc(C(F)F)c2n1
InChIInChI=1S/C10H11F2N3/c1-6(2)8-3-4-15-10(14-8)7(5-13-15)9(11)12/h3-6,9H,1-2H3
InChIKeyGOOCABZOZNRBOI-UHFFFAOYSA-N
XLogP2.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 170175486) is 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1ccn2ncc(C(F)F)c2n1.
What is the InChIKey of 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GOOCABZOZNRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3/c1-6(2)8-3-4-15-10(14-8)7(5-13-15)9(11)12/h3-6,9H,1-2H3.
What are the key properties of 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 211.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 170175486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).