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

C11H9F3N4O — CID 3333466

IUPAC6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(CCCO)c(C(F)(F)F)nc12
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-7(2-1-3-19)6-18-10(17-9)8(4-15)5-16-18/h5-6,19H,1-3H2
InChIKeyXPWMKOPJXKUWEQ-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.54
Rot. Bonds3

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

6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 3333466) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID3333466
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(CCCO)c(C(F)(F)F)nc12
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-7(2-1-3-19)6-18-10(17-9)8(4-15)5-16-18/h5-6,19H,1-3H2
InChIKeyXPWMKOPJXKUWEQ-UHFFFAOYSA-N
XLogP1.54
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 3333466) is 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2cc(CCCO)c(C(F)(F)F)nc12.
What is the InChIKey of 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is XPWMKOPJXKUWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)9-7(2-1-3-19)6-18-10(17-9)8(4-15)5-16-18/h5-6,19H,1-3H2.
What are the key properties of 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 270.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypropyl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 3333466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).