1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid

C11H14ClN3O3 — CID 119354851

IUPAC1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCn2cc(Cl)cn2)C1
InChIInChI=1S/C11H14ClN3O3/c12-9-5-13-15(7-9)4-2-10(16)14-3-1-8(6-14)11(17)18/h5,7-8H,1-4,6H2,(H,17,18)
InChIKeyBRYHELIGEKEYNB-UHFFFAOYSA-N
MW271.70 g/mol
LogP0.86
Rot. Bonds4

About 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid

1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 119354851) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID119354851
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Name1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCn2cc(Cl)cn2)C1
InChIInChI=1S/C11H14ClN3O3/c12-9-5-13-15(7-9)4-2-10(16)14-3-1-8(6-14)11(17)18/h5,7-8H,1-4,6H2,(H,17,18)
InChIKeyBRYHELIGEKEYNB-UHFFFAOYSA-N
XLogP0.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 70739631
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63006196
(4aS,8aR)-6-[3-(4-chloropyrazol-1-yl)propanoyl]-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 56886740
(3S)-1-[3-(4-chlorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124700361
1-[(3aR,5R,6R,7aS)-5-hydroxy-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-3-(4-chloropyrazol-1-yl)propan-1-one
CID 172656515
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622534
1-[3-(4-oxocinnolin-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 126776520
3-(4-chloropyrazol-1-yl)-1-[(3S)-3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]propan-1-one
CID 95712905
3-(4-chloropyrazol-1-yl)-1-[3-hydroxy-3-(1H-pyrazol-5-ylmethyl)azetidin-1-yl]propan-1-one
CID 167881017
1-[3-(4-nitroimidazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031629
1-(3-phenothiazin-10-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355124
3-(4-chloropyrazol-1-yl)-1-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 97153501

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid (CID 119354851) is 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)CCn2cc(Cl)cn2)C1.
What is the InChIKey of 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BRYHELIGEKEYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c12-9-5-13-15(7-9)4-2-10(16)14-3-1-8(6-14)11(17)18/h5,7-8H,1-4,6H2,(H,17,18).
What are the key properties of 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid?
1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloropyrazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119354851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).