1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H20N4O3 — CID 115991089

IUPAC1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-3-10-9(8-16(2)15-10)7-14-13(20)17-6-4-5-11(17)12(18)19/h8,11H,3-7H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyBIVPRGAIPBMCKY-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.74
Rot. Bonds4

About 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 115991089) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID115991089
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCc1nn(C)cc1CNC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C13H20N4O3/c1-3-10-9(8-16(2)15-10)7-14-13(20)17-6-4-5-11(17)12(18)19/h8,11H,3-7H2,1-2H3,(H,14,20)(H,18,19)
InChIKeyBIVPRGAIPBMCKY-UHFFFAOYSA-N
XLogP0.74
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971
3-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 126806353
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688886
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 82873969
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 82873458
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
4-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 115991309
3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 115989215

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 115991089) is 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CCc1nn(C)cc1CNC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BIVPRGAIPBMCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-10-9(8-16(2)15-10)7-14-13(20)17-6-4-5-11(17)12(18)19/h8,11H,3-7H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115991089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).