(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C16H23N5O3 — CID 120937101

IUPAC(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1C(=O)CC(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)C1=O
InChIInChI=1S/C16H23N5O3/c1-9(2)21-14(22)4-13(16(21)24)19-15(23)12-7-17-6-11(12)10-5-18-20(3)8-10/h5,8-9,11-13,17H,4,6-7H2,1-3H3,(H,19,23)/t11-,12+,13?/m1/s1
InChIKeyYZXMYACXGJTZRI-OJRHAOMCSA-N
MW333.39 g/mol
LogP-0.62
Rot. Bonds4

About (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120937101) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120937101
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)N1C(=O)CC(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)C1=O
InChIInChI=1S/C16H23N5O3/c1-9(2)21-14(22)4-13(16(21)24)19-15(23)12-7-17-6-11(12)10-5-18-20(3)8-10/h5,8-9,11-13,17H,4,6-7H2,1-3H3,(H,19,23)/t11-,12+,13?/m1/s1
InChIKeyYZXMYACXGJTZRI-OJRHAOMCSA-N
XLogP-0.62
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120937100
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936219
(3R,4S)-N-(2-methylcyclopropyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925495
(3R,4S)-N-(3-methylcyclobutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933475
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-3-carboxamide
CID 120932603
(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935424
(3R,4S)-N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120934464
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-oxo-1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120932997
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484
(3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918896

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120937101) is (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CC(C)N1C(=O)CC(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)C1=O.
What is the InChIKey of (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is YZXMYACXGJTZRI-OJRHAOMCSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-9(2)21-14(22)4-13(16(21)24)19-15(23)12-7-17-6-11(12)10-5-18-20(3)8-10/h5,8-9,11-13,17H,4,6-7H2,1-3H3,(H,19,23)/t11-,12+,13?/m1/s1.
What are the key properties of (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120937101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).