6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C11H11F3N4O2 — CID 16792292

IUPAC6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(C(F)(F)F)c(CCCO)cnc12
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)8-6(2-1-3-19)4-16-10-7(9(15)20)5-17-18(8)10/h4-5,19H,1-3H2,(H2,15,20)
InChIKeyJIVVSMIHRSZWLO-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.77
Rot. Bonds4

About 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16792292) has the molecular formula C11H11F3N4O2 and a molecular weight of 288.23 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16792292
Molecular FormulaC11H11F3N4O2
Molecular Weight288.23 g/mol
Exact Mass288.08
IUPAC Name6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(C(F)(F)F)c(CCCO)cnc12
InChIInChI=1S/C11H11F3N4O2/c12-11(13,14)8-6(2-1-3-19)4-16-10-7(9(15)20)5-17-18(8)10/h4-5,19H,1-3H2,(H2,15,20)
InChIKeyJIVVSMIHRSZWLO-UHFFFAOYSA-N
XLogP0.77
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16792292) is 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c(C(F)(F)F)c(CCCO)cnc12.
What is the InChIKey of 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JIVVSMIHRSZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2/c12-11(13,14)8-6(2-1-3-19)4-16-10-7(9(15)20)5-17-18(8)10/h4-5,19H,1-3H2,(H2,15,20).
What are the key properties of 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 288.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16792292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).