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

C13H19N5O2 — CID 124697847

IUPAC(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESC[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1
InChIInChI=1S/C13H19N5O2/c1-9-7-17(3-2-14-9)13(20)10-4-12(19)18(8-10)11-5-15-16-6-11/h5-6,9-10,14H,2-4,7-8H2,1H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyLBXCSPUIRWKPJY-UWVGGRQHSA-N
MW277.33 g/mol
LogP-0.42
Rot. Bonds2

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

(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (PubChem CID 124697847) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
PubChem CID124697847
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
SMILESC[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1
InChIInChI=1S/C13H19N5O2/c1-9-7-17(3-2-14-9)13(20)10-4-12(19)18(8-10)11-5-15-16-6-11/h5-6,9-10,14H,2-4,7-8H2,1H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyLBXCSPUIRWKPJY-UWVGGRQHSA-N
XLogP-0.42
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124698691
(4R)-4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 124690531
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-(1H-pyrazol-4-yl)pyrrolidin-2-one
CID 120814064
3-[4-(3-methylpiperazine-1-carbonyl)-2-oxopyrrolidin-1-yl]benzenesulfonamide;hydrochloride
CID 119576619
1-(3,5-dimethylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 174964651
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
CID 120748845
N-methyl-5-oxo-1-(1H-pyrazol-4-yl)-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 122147798
cyclopent-3-en-1-yl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 104974832
N-[(2,6-dimethylphenyl)methyl]-N-methyl-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 136566998
(5R)-5-(3-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 103806957
cyclobutyl-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427984
1-(3,5-dimethoxyphenyl)-4-(2,3-dimethylpiperazine-1-carbonyl)pyrrolidin-2-one;hydrochloride
CID 120571907

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one (CID 124697847) is (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3cn[nH]c3)C2)CCN1.
What is the InChIKey of (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is LBXCSPUIRWKPJY-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-9-7-17(3-2-14-9)13(20)10-4-12(19)18(8-10)11-5-15-16-6-11/h5-6,9-10,14H,2-4,7-8H2,1H3,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one?
(4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3S)-3-methylpiperazine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 124697847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).