(2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone

C22H31FN4O — CID 129141100

IUPAC(2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCC1(CC)CC(F)CN1C(=O)C1=C2N[C@@H](c3ccccc3)CC(C)N2NC1
InChIInChI=1S/C22H31FN4O/c1-4-22(5-2)12-17(23)14-26(22)21(28)18-13-24-27-15(3)11-19(25-20(18)27)16-9-7-6-8-10-16/h6-10,15,17,19,24-25H,4-5,11-14H2,1-3H3/t15?,17?,19-/m1/s1
InChIKeyUJSVDSIXIRYQOX-GXOAENINSA-N
MW386.52 g/mol
LogP3.27
Rot. Bonds4

About (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone

(2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone (PubChem CID 129141100) has the molecular formula C22H31FN4O and a molecular weight of 386.52 g/mol. Its IUPAC name is (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone.

Molecular Properties

Compound Name(2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
PubChem CID129141100
Molecular FormulaC22H31FN4O
Molecular Weight386.52 g/mol
Exact Mass386.25
IUPAC Name(2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone
SMILESCCC1(CC)CC(F)CN1C(=O)C1=C2N[C@@H](c3ccccc3)CC(C)N2NC1
InChIInChI=1S/C22H31FN4O/c1-4-22(5-2)12-17(23)14-26(22)21(28)18-13-24-27-15(3)11-19(25-20(18)27)16-9-7-6-8-10-16/h6-10,15,17,19,24-25H,4-5,11-14H2,1-3H3/t15?,17?,19-/m1/s1
InChIKeyUJSVDSIXIRYQOX-GXOAENINSA-N
XLogP3.27
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The IUPAC name of (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone (CID 129141100) is (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone.
What is the SMILES notation for (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The canonical SMILES for (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone is CCC1(CC)CC(F)CN1C(=O)C1=C2N[C@@H](c3ccccc3)CC(C)N2NC1.
What is the InChIKey of (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
The InChIKey is UJSVDSIXIRYQOX-GXOAENINSA-N. The full InChI is InChI=1S/C22H31FN4O/c1-4-22(5-2)12-17(23)14-26(22)21(28)18-13-24-27-15(3)11-19(25-20(18)27)16-9-7-6-8-10-16/h6-10,15,17,19,24-25H,4-5,11-14H2,1-3H3/t15?,17?,19-/m1/s1.
What are the key properties of (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone?
(2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone has a molecular weight of 386.52 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diethyl-4-fluoropyrrolidin-1-yl)-[(5R)-7-methyl-5-phenyl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyrimidin-3-yl]methanone is sourced from PubChem (CID 129141100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).