(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C15H25N5O2 — CID 97192259

IUPAC(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n(C)n1
InChIInChI=1S/C15H25N5O2/c1-11-7-13(19(4)17-11)9-16-15(22)12-8-14(21)20(10-12)6-5-18(2)3/h7,12H,5-6,8-10H2,1-4H3,(H,16,22)/t12-/m0/s1
InChIKeySFFYDISEDPULNE-LBPRGKRZSA-N
MW307.40 g/mol
LogP-0.25
Rot. Bonds6

About (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97192259) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97192259
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n(C)n1
InChIInChI=1S/C15H25N5O2/c1-11-7-13(19(4)17-11)9-16-15(22)12-8-14(21)20(10-12)6-5-18(2)3/h7,12H,5-6,8-10H2,1-4H3,(H,16,22)/t12-/m0/s1
InChIKeySFFYDISEDPULNE-LBPRGKRZSA-N
XLogP-0.25
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50956956
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 97200087
(3R)-1-[2-(dimethylamino)ethyl]-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95123773
(3R)-1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97206956
1-[2-(dimethylamino)ethyl]-N-[(3-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 72924619
(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 96568281
N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72939363
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 131927188
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
(3R)-1-[2-(dimethylamino)ethyl]-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 124508095

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97192259) is (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)n(C)n1.
What is the InChIKey of (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SFFYDISEDPULNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11-7-13(19(4)17-11)9-16-15(22)12-8-14(21)20(10-12)6-5-18(2)3/h7,12H,5-6,8-10H2,1-4H3,(H,16,22)/t12-/m0/s1.
What are the key properties of (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97192259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).