1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H19F2N3O3 — CID 154769913

IUPAC1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)Cn2ccc(C(F)F)n2)C1
InChIInChI=1S/C14H19F2N3O3/c1-9(2)14(13(21)22)4-6-18(8-14)11(20)7-19-5-3-10(17-19)12(15)16/h3,5,9,12H,4,6-8H2,1-2H3,(H,21,22)
InChIKeyQOIBWQAKEULECO-UHFFFAOYSA-N
MW315.32 g/mol
LogP1.78
Rot. Bonds5

About 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 154769913) has the molecular formula C14H19F2N3O3 and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID154769913
Molecular FormulaC14H19F2N3O3
Molecular Weight315.32 g/mol
Exact Mass315.14
IUPAC Name1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)Cn2ccc(C(F)F)n2)C1
InChIInChI=1S/C14H19F2N3O3/c1-9(2)14(13(21)22)4-6-18(8-14)11(20)7-19-5-3-10(17-19)12(15)16/h3,5,9,12H,4,6-8H2,1-2H3,(H,21,22)
InChIKeyQOIBWQAKEULECO-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 106982529
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
1-[2-(4-bromophenyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982759
1-morpholin-4-yl-2-(3-propan-2-ylpyrazol-1-yl)ethanone
CID 97243102
1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983729
1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981561
4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
CID 119251468
1-[2-(2-amino-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981515
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982484
1-(4-bromobenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982637
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
1-(3-ethyl-1-methylpyrazole-4-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982482

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 154769913) is 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)Cn2ccc(C(F)F)n2)C1.
What is the InChIKey of 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is QOIBWQAKEULECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O3/c1-9(2)14(13(21)22)4-6-18(8-14)11(20)7-19-5-3-10(17-19)12(15)16/h3,5,9,12H,4,6-8H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 315.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethyl)pyrazol-1-yl]acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 154769913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).