3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C15H19F3N4O2 — CID 150438030

IUPAC3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC[C@H](C)[C@H](CO)c1c(C(F)(F)F)nn2cc(C(N)=O)c(C)nc12
InChIInChI=1S/C15H19F3N4O2/c1-4-7(2)10(6-23)11-12(15(16,17)18)21-22-5-9(13(19)24)8(3)20-14(11)22/h5,7,10,23H,4,6H2,1-3H3,(H2,19,24)/t7-,10-/m0/s1
InChIKeyHLEGHKPCLZSJMX-XVKPBYJWSA-N
MW344.34 g/mol
LogP2.28
Rot. Bonds5

About 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 150438030) has the molecular formula C15H19F3N4O2 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID150438030
Molecular FormulaC15H19F3N4O2
Molecular Weight344.34 g/mol
Exact Mass344.15
IUPAC Name3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC[C@H](C)[C@H](CO)c1c(C(F)(F)F)nn2cc(C(N)=O)c(C)nc12
InChIInChI=1S/C15H19F3N4O2/c1-4-7(2)10(6-23)11-12(15(16,17)18)21-22-5-9(13(19)24)8(3)20-14(11)22/h5,7,10,23H,4,6H2,1-3H3,(H2,19,24)/t7-,10-/m0/s1
InChIKeyHLEGHKPCLZSJMX-XVKPBYJWSA-N
XLogP2.28
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 150438030) is 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC[C@H](C)[C@H](CO)c1c(C(F)(F)F)nn2cc(C(N)=O)c(C)nc12.
What is the InChIKey of 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is HLEGHKPCLZSJMX-XVKPBYJWSA-N. The full InChI is InChI=1S/C15H19F3N4O2/c1-4-7(2)10(6-23)11-12(15(16,17)18)21-22-5-9(13(19)24)8(3)20-14(11)22/h5,7,10,23H,4,6H2,1-3H3,(H2,19,24)/t7-,10-/m0/s1.
What are the key properties of 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 150438030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).