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

C10H14N4O3 — CID 61199274

IUPAC1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCn1cc(NC(=O)N2CCCC2C(=O)O)cn1
InChIInChI=1S/C10H14N4O3/c1-13-6-7(5-11-13)12-10(17)14-4-2-3-8(14)9(15)16/h5-6,8H,2-4H2,1H3,(H,12,17)(H,15,16)
InChIKeyTWUYEJXMYFWWQZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.50
Rot. Bonds2

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

1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61199274) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61199274
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCn1cc(NC(=O)N2CCCC2C(=O)O)cn1
InChIInChI=1S/C10H14N4O3/c1-13-6-7(5-11-13)12-10(17)14-4-2-3-8(14)9(15)16/h5-6,8H,2-4H2,1H3,(H,12,17)(H,15,16)
InChIKeyTWUYEJXMYFWWQZ-UHFFFAOYSA-N
XLogP0.50
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 43535289
(3R)-1-[(1-methylpyrazol-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120044
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
1-(2,2-dimethylpropanoyl)-N-(1-methylpyrazol-4-yl)pyrrolidine-2-carboxamide
CID 47184320
1-[(1-methylpyrazol-4-yl)carbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107437990
1-[(5-fluoro-3-pyridinyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114254226
(2R)-1-[(4-iodophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149678
1-[(3,5-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61189559
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
tert-butyl 2-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 51079392
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61199274) is 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is Cn1cc(NC(=O)N2CCCC2C(=O)O)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is TWUYEJXMYFWWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-13-6-7(5-11-13)12-10(17)14-4-2-3-8(14)9(15)16/h5-6,8H,2-4H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61199274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).