1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid

C19H24N4O3 — CID 154735668

IUPAC1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCC(C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C19H24N4O3/c1-21(11-15-10-20-22(2)12-15)18(24)16-8-9-17(19(25)26)23(16)13-14-6-4-3-5-7-14/h3-7,10,12,16-17H,8-9,11,13H2,1-2H3,(H,25,26)
InChIKeyADTIQVBAYQKJLM-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.50
Rot. Bonds6

About 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid

1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 154735668) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID154735668
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(Cc1cnn(C)c1)C(=O)C1CCC(C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C19H24N4O3/c1-21(11-15-10-20-22(2)12-15)18(24)16-8-9-17(19(25)26)23(16)13-14-6-4-3-5-7-14/h3-7,10,12,16-17H,8-9,11,13H2,1-2H3,(H,25,26)
InChIKeyADTIQVBAYQKJLM-UHFFFAOYSA-N
XLogP1.50
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[Benzyl(methyl)amino]-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56824907
N-benzyl-N-methyl-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56825247
N-methyl-N-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetamide
CID 72882171
methyl (2S,4S,5R)-4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]-1,2-dimethyl-5-(2-methylphenyl)pyrrolidine-2-carboxylate
CID 42159209
Methyl 1-[(1-benzylpyrazol-4-yl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 86818960
(2S)-1-benzyl-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-oxoazepane-2-carboxamide
CID 164632712
(6S)-3-[(3-fluoro-5-methylphenyl)methylamino]-1-(1-methylpyrazol-4-yl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 176291034
(6S)-1-[1-(difluoromethyl)pyrazol-4-yl]-3-[(3-fluoro-5-methylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 176291282
3-[(3-fluoro-5-methylphenyl)methylamino]-1-(1-methylpyrazol-4-yl)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 176973991
methyl (2S*,4S*,5R*)-5-(2-fluorophenyl)-1-methyl-4-({[(1-methyl-1H-pyrazol-4-yl)methyl]amino}carbonyl)-2-pyrrolidinecarboxylate
CID 25368317
(2S,4S,5R)-5-(2-fluorophenyl)-1-methyl-4-[methyl(2-pyrazol-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 56738241
(2S*,4S*,5R*)-5-(2-fluorophenyl)-1-methyl-4-{[3-(1H-pyrazol-1-yl)azetidin-1-yl]carbonyl}pyrrolidine-2-carboxylic acid
CID 56744118

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid (CID 154735668) is 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid is CN(Cc1cnn(C)c1)C(=O)C1CCC(C(=O)O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ADTIQVBAYQKJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21(11-15-10-20-22(2)12-15)18(24)16-8-9-17(19(25)26)23(16)13-14-6-4-3-5-7-14/h3-7,10,12,16-17H,8-9,11,13H2,1-2H3,(H,25,26).
What are the key properties of 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid?
1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 154735668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).