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

C11H16N4O3 — CID 82873969

IUPAC1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCn1ccc(CNC(=O)N2CCCC2C(=O)O)n1
InChIInChI=1S/C11H16N4O3/c1-14-6-4-8(13-14)7-12-11(18)15-5-2-3-9(15)10(16)17/h4,6,9H,2-3,5,7H2,1H3,(H,12,18)(H,16,17)
InChIKeyUGVWIOZLIJXJEE-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.18
Rot. Bonds3

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

1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 82873969) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID82873969
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCn1ccc(CNC(=O)N2CCCC2C(=O)O)n1
InChIInChI=1S/C11H16N4O3/c1-14-6-4-8(13-14)7-12-11(18)15-5-2-3-9(15)10(16)17/h4,6,9H,2-3,5,7H2,1H3,(H,12,18)(H,16,17)
InChIKeyUGVWIOZLIJXJEE-UHFFFAOYSA-N
XLogP0.18
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrazol-3-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 82873458
1-[(1-methylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 82868830
1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 115991089
(2R)-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922682
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971
1-(1,2-oxazol-3-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 81178491
1-[(6-methyl-2-pyridinyl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64563323
(2R)-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923324
(2S)-1-[(4-cyanophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 57257451
(2S)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509945
(2R)-1-[(4-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922749

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 82873969) is 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is Cn1ccc(CNC(=O)N2CCCC2C(=O)O)n1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UGVWIOZLIJXJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-14-6-4-8(13-14)7-12-11(18)15-5-2-3-9(15)10(16)17/h4,6,9H,2-3,5,7H2,1H3,(H,12,18)(H,16,17).
What are the key properties of 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82873969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).