1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H18N4O3 — CID 61460902

IUPAC1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(Cn1cccn1)NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-9(8-15-6-3-5-13-15)14-12(19)16-7-2-4-10(16)11(17)18/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyCMBDYQAZEZAOCL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.53
Rot. Bonds4

About 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61460902) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61460902
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(Cn1cccn1)NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H18N4O3/c1-9(8-15-6-3-5-13-15)14-12(19)16-7-2-4-10(16)11(17)18/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyCMBDYQAZEZAOCL-UHFFFAOYSA-N
XLogP0.53
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583842
(2R)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94031024
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
(2S)-2-(4-methoxyphenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94102282
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63996144
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
(2S)-2-(3-methoxyphenyl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-1-carboxamide
CID 94031022
(2R)-1-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104874921
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61460902) is 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(Cn1cccn1)NC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CMBDYQAZEZAOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9(8-15-6-3-5-13-15)14-12(19)16-7-2-4-10(16)11(17)18/h3,5-6,9-10H,2,4,7-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61460902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).