(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C18H29N5O2 — CID 124614714

IUPAC(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cnn(C)c2C)CC1=O
InChIInChI=1S/C18H29N5O2/c1-4-22-7-5-6-16(22)12-23-11-14(8-17(23)24)18(25)19-9-15-10-20-21(3)13(15)2/h10,14,16H,4-9,11-12H2,1-3H3,(H,19,25)/t14-,16-/m1/s1
InChIKeyHJPIYGJAOFGTJE-GDBMZVCRSA-N
MW347.46 g/mol
LogP0.68
Rot. Bonds6

About (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 124614714) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID124614714
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cnn(C)c2C)CC1=O
InChIInChI=1S/C18H29N5O2/c1-4-22-7-5-6-16(22)12-23-11-14(8-17(23)24)18(25)19-9-15-10-20-21(3)13(15)2/h10,14,16H,4-9,11-12H2,1-3H3,(H,19,25)/t14-,16-/m1/s1
InChIKeyHJPIYGJAOFGTJE-GDBMZVCRSA-N
XLogP0.68
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500643
N-(3-aminopropyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 119405501
(3S)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572012
(3R)-N-(2-ethylpyrimidin-5-yl)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 124572011
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168695738
(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-(5-fluoro-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 100844968
N-[(2S)-1-aminopropan-2-yl]-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 120507176
(2S)-2-[[(3S)-1-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 125120295
(3R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 96533277
1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119534166
N-(2-aminoethyl)-1-[1-[(1-ethylpyrrolidin-2-yl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide;dihydrochloride
CID 119479811
1-[(1-ethylpyrrolidin-2-yl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 119560421

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 124614714) is (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CCN1CCC[C@@H]1CN1C[C@H](C(=O)NCc2cnn(C)c2C)CC1=O.
What is the InChIKey of (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HJPIYGJAOFGTJE-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-22-7-5-6-16(22)12-23-11-14(8-17(23)24)18(25)19-9-15-10-20-21(3)13(15)2/h10,14,16H,4-9,11-12H2,1-3H3,(H,19,25)/t14-,16-/m1/s1.
What are the key properties of (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124614714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).