5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H17F3N4O3 — CID 652094

IUPAC5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)17-8-14(11-5-6-15-16(7-11)30-10-29-15)26-18-13(9-24-27(17)18)19(28)25-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,25,28)
InChIKeyQTPSHRRCLZNSRO-UHFFFAOYSA-N
MW418.38 g/mol
LogP3.82
Rot. Bonds3

About 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 652094) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID652094
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)17-8-14(11-5-6-15-16(7-11)30-10-29-15)26-18-13(9-24-27(17)18)19(28)25-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,25,28)
InChIKeyQTPSHRRCLZNSRO-UHFFFAOYSA-N
XLogP3.82
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 652094) is 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QTPSHRRCLZNSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-20(22,23)17-8-14(11-5-6-15-16(7-11)30-10-29-15)26-18-13(9-24-27(17)18)19(28)25-12-3-1-2-4-12/h5-9,12H,1-4,10H2,(H,25,28).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 652094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).