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

C18H23N5O — CID 136718070

IUPAC(3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
SMILESO=C1[C@@H](NC[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1
InChIInChI=1S/C18H23N5O/c24-18-16(7-9-22(18)12-14-4-2-1-3-5-14)19-10-15-11-20-17-6-8-21-23(17)13-15/h1-6,8,15-16,19-20H,7,9-13H2/t15-,16+/m1/s1
InChIKeyXQCUHFAYEPSFEB-CVEARBPZSA-N
MW325.42 g/mol
LogP1.32
Rot. Bonds5

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

(3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one (PubChem CID 136718070) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
PubChem CID136718070
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
SMILESO=C1[C@@H](NC[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1
InChIInChI=1S/C18H23N5O/c24-18-16(7-9-22(18)12-14-4-2-1-3-5-14)19-10-15-11-20-17-6-8-21-23(17)13-15/h1-6,8,15-16,19-20H,7,9-13H2/t15-,16+/m1/s1
InChIKeyXQCUHFAYEPSFEB-CVEARBPZSA-N
XLogP1.32
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-benzyl-3-[[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one
CID 136718074
(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-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-3-amine
CID 136811971
N-[(1-benzylpyrazol-4-yl)methyl]-1-[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methanamine
CID 136755501
1-propylsulfonyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-4-amine
CID 136905648
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-1-phenylmethanesulfonamide
CID 94799079
N-(1-benzyl-2-oxopyrrolidin-3-yl)-1-phenylmethanesulfonamide
CID 47083121
1-benzyl-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)pyrrolidin-2-one
CID 154745464
(3R)-3-(1,3-benzodioxol-4-ylmethylamino)-1-benzylpyrrolidin-2-one
CID 95590642
(3R)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-3,4-dihydro-2H-chromen-3-amine
CID 136718049
1-benzyl-3-(benzylamino)azetidin-2-one
CID 86116144
N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928772

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one?
The IUPAC name of (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one (CID 136718070) is (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one is O=C1[C@@H](NC[C@@H]2CNc3ccnn3C2)CCN1Cc1ccccc1.
What is the InChIKey of (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one?
The InChIKey is XQCUHFAYEPSFEB-CVEARBPZSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18-16(7-9-22(18)12-14-4-2-1-3-5-14)19-10-15-11-20-17-6-8-21-23(17)13-15/h1-6,8,15-16,19-20H,7,9-13H2/t15-,16+/m1/s1.
What are the key properties of (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one?
(3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one has a molecular weight of 325.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 136718070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).