(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

C12H17N5O2 — CID 124698691

IUPAC(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1
InChIInChI=1S/C12H17N5O2/c13-9-1-2-16(7-9)12(19)8-3-11(18)17(6-8)10-4-14-15-5-10/h4-5,8-9H,1-3,6-7,13H2,(H,14,15)/t8-,9+/m1/s1
InChIKeyRJEMEWIQSYMXRT-BDAKNGLRSA-N
MW263.30 g/mol
LogP-0.68
Rot. Bonds2

About (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one

(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (PubChem CID 124698691) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
PubChem CID124698691
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESN[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1
InChIInChI=1S/C12H17N5O2/c13-9-1-2-16(7-9)12(19)8-3-11(18)17(6-8)10-4-14-15-5-10/h4-5,8-9H,1-3,6-7,13H2,(H,14,15)/t8-,9+/m1/s1
InChIKeyRJEMEWIQSYMXRT-BDAKNGLRSA-N
XLogP-0.68
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124697847
(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124690531
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119412742
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,5-dimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119413570
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
CID 120748845
3-[(4S)-4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125119424
3-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 119409588
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 119410414
4-(4-aminopiperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119376203
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,4-dimethoxyphenyl)pyrrolidin-2-one
CID 119409348
3-[4-(3-aminopiperidine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119377534

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (CID 124698691) is (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is N[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cn[nH]c3)C2)C1.
What is the InChIKey of (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is RJEMEWIQSYMXRT-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H17N5O2/c13-9-1-2-16(7-9)12(19)8-3-11(18)17(6-8)10-4-14-15-5-10/h4-5,8-9H,1-3,6-7,13H2,(H,14,15)/t8-,9+/m1/s1.
What are the key properties of (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 263.30 g/mol, XLogP of -0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 124698691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).