6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21F3N4O3 — CID 126763806

IUPAC6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(c2ccc(C(F)(F)F)cc2)CCOCC1O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)16-5-3-15(4-6-16)21(7-8-32-12-18(21)30)28-20(31)17-10-27-29-11-14(13-1-2-13)9-26-19(17)29/h3-6,9-11,13,18,30H,1-2,7-8,12H2,(H,28,31)
InChIKeyBQGQWVRUSCIJFR-UHFFFAOYSA-N
MW446.43 g/mol
LogP3.03
Rot. Bonds4

About 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 126763806) has the molecular formula C22H21F3N4O3 and a molecular weight of 446.43 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID126763806
Molecular FormulaC22H21F3N4O3
Molecular Weight446.43 g/mol
Exact Mass446.16
IUPAC Name6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(c2ccc(C(F)(F)F)cc2)CCOCC1O)c1cnn2cc(C3CC3)cnc12
InChIInChI=1S/C22H21F3N4O3/c23-22(24,25)16-5-3-15(4-6-16)21(7-8-32-12-18(21)30)28-20(31)17-10-27-29-11-14(13-1-2-13)9-26-19(17)29/h3-6,9-11,13,18,30H,1-2,7-8,12H2,(H,28,31)
InChIKeyBQGQWVRUSCIJFR-UHFFFAOYSA-N
XLogP3.03
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 126763806) is 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1(c2ccc(C(F)(F)F)cc2)CCOCC1O)c1cnn2cc(C3CC3)cnc12.
What is the InChIKey of 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BQGQWVRUSCIJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O3/c23-22(24,25)16-5-3-15(4-6-16)21(7-8-32-12-18(21)30)28-20(31)17-10-27-29-11-14(13-1-2-13)9-26-19(17)29/h3-6,9-11,13,18,30H,1-2,7-8,12H2,(H,28,31).
What are the key properties of 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[3-hydroxy-4-[4-(trifluoromethyl)phenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 126763806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).