6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H24F3N5O2 — CID 55873706

IUPAC6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C18H24F3N5O2/c1-4-5-8-25(10-18(19,20)21)15(27)7-6-13-11(2)24-17-14(16(22)28)9-23-26(17)12(13)3/h9H,4-8,10H2,1-3H3,(H2,22,28)
InChIKeyOZDNKPHRHZVCSY-UHFFFAOYSA-N
MW399.42 g/mol
LogP2.57
Rot. Bonds8

About 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55873706) has the molecular formula C18H24F3N5O2 and a molecular weight of 399.42 g/mol. Its IUPAC name is 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55873706
Molecular FormulaC18H24F3N5O2
Molecular Weight399.42 g/mol
Exact Mass399.19
IUPAC Name6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C
InChIInChI=1S/C18H24F3N5O2/c1-4-5-8-25(10-18(19,20)21)15(27)7-6-13-11(2)24-17-14(16(22)28)9-23-26(17)12(13)3/h9H,4-8,10H2,1-3H3,(H2,22,28)
InChIKeyOZDNKPHRHZVCSY-UHFFFAOYSA-N
XLogP2.57
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55873706) is 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C.
What is the InChIKey of 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OZDNKPHRHZVCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O2/c1-4-5-8-25(10-18(19,20)21)15(27)7-6-13-11(2)24-17-14(16(22)28)9-23-26(17)12(13)3/h9H,4-8,10H2,1-3H3,(H2,22,28).
What are the key properties of 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[butyl(2,2,2-trifluoroethyl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55873706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).