(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one

C19H25N5O — CID 136718074

IUPAC(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
SMILESCc1cc2n(n1)C[C@H](CN[C@@H]1CCN(Cc3ccccc3)C1=O)CN2
InChIInChI=1S/C19H25N5O/c1-14-9-18-21-11-16(13-24(18)22-14)10-20-17-7-8-23(19(17)25)12-15-5-3-2-4-6-15/h2-6,9,16-17,20-21H,7-8,10-13H2,1H3/t16-,17-/m1/s1
InChIKeyKYUGEEVMXUGQJV-IAGOWNOFSA-N
MW339.44 g/mol
LogP1.62
Rot. Bonds5

About (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one

(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one (PubChem CID 136718074) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
PubChem CID136718074
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
SMILESCc1cc2n(n1)C[C@H](CN[C@@H]1CCN(Cc3ccccc3)C1=O)CN2
InChIInChI=1S/C19H25N5O/c1-14-9-18-21-11-16(13-24(18)22-14)10-20-17-7-8-23(19(17)25)12-15-5-3-2-4-6-15/h2-6,9,16-17,20-21H,7-8,10-13H2,1H3/t16-,17-/m1/s1
InChIKeyKYUGEEVMXUGQJV-IAGOWNOFSA-N
XLogP1.62
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one with MolForge

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Related Compounds

(3S)-1-benzyl-3-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718077
(3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718070
N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 136905152
(2R)-2-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]propan-1-ol
CID 136905643
(2S)-2-methoxy-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-2-phenylethanamine
CID 136905119
(4S)-1-methyl-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905221
(4S)-1-methyl-N-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 136905220
(3S)-1-benzyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-3-amine
CID 136811971
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136769193
(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 94817453
(3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
CID 95138958
(2S)-1-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]-3-[(1R)-1-phenylethoxy]propan-2-ol
CID 136696918

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one (CID 136718074) is (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one is Cc1cc2n(n1)C[C@H](CN[C@@H]1CCN(Cc3ccccc3)C1=O)CN2.
What is the InChIKey of (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one?
The InChIKey is KYUGEEVMXUGQJV-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-9-18-21-11-16(13-24(18)22-14)10-20-17-7-8-23(19(17)25)12-15-5-3-2-4-6-15/h2-6,9,16-17,20-21H,7-8,10-13H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one?
(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 136718074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).