2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

C24H31FN4O2 — CID 71625548

IUPAC2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OCCF)cc3)c(CC(=O)N(CC)CC)c2n1
InChIInChI=1S/C24H31FN4O2/c1-5-18-15-19(6-2)29-24(26-18)21(16-22(30)28(7-3)8-4)23(27-29)17-9-11-20(12-10-17)31-14-13-25/h9-12,15H,5-8,13-14,16H2,1-4H3
InChIKeyYGSRSVCZJQFQML-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.28
Rot. Bonds10

About 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide

2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (PubChem CID 71625548) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
PubChem CID71625548
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
SMILESCCc1cc(CC)n2nc(-c3ccc(OCCF)cc3)c(CC(=O)N(CC)CC)c2n1
InChIInChI=1S/C24H31FN4O2/c1-5-18-15-19(6-2)29-24(26-18)21(16-22(30)28(7-3)8-4)23(27-29)17-9-11-20(12-10-17)31-14-13-25/h9-12,15H,5-8,13-14,16H2,1-4H3
InChIKeyYGSRSVCZJQFQML-UHFFFAOYSA-N
XLogP4.28
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide (CID 71625548) is 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is CCc1cc(CC)n2nc(-c3ccc(OCCF)cc3)c(CC(=O)N(CC)CC)c2n1.
What is the InChIKey of 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
The InChIKey is YGSRSVCZJQFQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-5-18-15-19(6-2)29-24(26-18)21(16-22(30)28(7-3)8-4)23(27-29)17-9-11-20(12-10-17)31-14-13-25/h9-12,15H,5-8,13-14,16H2,1-4H3.
What are the key properties of 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide?
2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide has a molecular weight of 426.54 g/mol, XLogP of 4.28, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-diethyl-2-[4-(2-fluoroethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 71625548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).