1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide

C17H27N5O2 — CID 72875054

IUPAC1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NCC2(Cn3cccn3)CC2)CC1=O
InChIInChI=1S/C17H27N5O2/c1-20(2)8-9-21-11-14(10-15(21)23)16(24)18-12-17(4-5-17)13-22-7-3-6-19-22/h3,6-7,14H,4-5,8-13H2,1-2H3,(H,18,24)
InChIKeyQHZVQMJDUUIVRL-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.19
Rot. Bonds8

About 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 72875054) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide
PubChem CID72875054
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)NCC2(Cn3cccn3)CC2)CC1=O
InChIInChI=1S/C17H27N5O2/c1-20(2)8-9-21-11-14(10-15(21)23)16(24)18-12-17(4-5-17)13-22-7-3-6-19-22/h3,6-7,14H,4-5,8-13H2,1-2H3,(H,18,24)
InChIKeyQHZVQMJDUUIVRL-UHFFFAOYSA-N
XLogP0.19
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)ethyl]-N-[(2-hydroxy-2-adamantyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 50957220
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97192259
(3R)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95923495
(3S)-1-[2-(dimethylamino)ethyl]-N-[(2-ethoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95923496
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
N-[1-(aminomethyl)cyclopentyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119566707
N-(2,6-diethylphenyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182868
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303
1-(2-methylpropyl)-5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 47025566
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide (CID 72875054) is 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)NCC2(Cn3cccn3)CC2)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is QHZVQMJDUUIVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20(2)8-9-21-11-14(10-15(21)23)16(24)18-12-17(4-5-17)13-22-7-3-6-19-22/h3,6-7,14H,4-5,8-13H2,1-2H3,(H,18,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-oxo-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 72875054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).