(7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone

C23H34N4O2 — CID 68865388

IUPAC(7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCOC(C)(C)C1CCCN1C(=O)N1CC=C2NC(c3ccccc3)CC(C)(C)N21
InChIInChI=1S/C23H34N4O2/c1-22(2)16-18(17-10-7-6-8-11-17)24-20-13-15-26(27(20)22)21(28)25-14-9-12-19(25)23(3,4)29-5/h6-8,10-11,13,18-19,24H,9,12,14-16H2,1-5H3
InChIKeyMBZXFPIVHNEQCL-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.88
Rot. Bonds3

About (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone

(7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 68865388) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone
PubChem CID68865388
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name(7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone
SMILESCOC(C)(C)C1CCCN1C(=O)N1CC=C2NC(c3ccccc3)CC(C)(C)N21
InChIInChI=1S/C23H34N4O2/c1-22(2)16-18(17-10-7-6-8-11-17)24-20-13-15-26(27(20)22)21(28)25-14-9-12-19(25)23(3,4)29-5/h6-8,10-11,13,18-19,24H,9,12,14-16H2,1-5H3
InChIKeyMBZXFPIVHNEQCL-UHFFFAOYSA-N
XLogP3.88
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone (CID 68865388) is (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone is COC(C)(C)C1CCCN1C(=O)N1CC=C2NC(c3ccccc3)CC(C)(C)N21.
What is the InChIKey of (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is MBZXFPIVHNEQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-22(2)16-18(17-10-7-6-8-11-17)24-20-13-15-26(27(20)22)21(28)25-14-9-12-19(25)23(3,4)29-5/h6-8,10-11,13,18-19,24H,9,12,14-16H2,1-5H3.
What are the key properties of (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone?
(7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 398.55 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-5-phenyl-2,4,5,6-tetrahydropyrazolo[1,5-a]pyrimidin-1-yl)-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 68865388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).