1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C13H20N4O3 — CID 106983729

IUPAC1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C13H20N4O3/c1-9(2)13(11(18)19)5-7-17(8-13)12(20)14-10-4-6-16(3)15-10/h4,6,9H,5,7-8H2,1-3H3,(H,18,19)(H,14,15,20)
InChIKeyIMFHNRCAAYWAGO-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.38
Rot. Bonds3

About 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106983729) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106983729
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)Nc2ccn(C)n2)C1
InChIInChI=1S/C13H20N4O3/c1-9(2)13(11(18)19)5-7-17(8-13)12(20)14-10-4-6-16(3)15-10/h4,6,9H,5,7-8H2,1-3H3,(H,18,19)(H,14,15,20)
InChIKeyIMFHNRCAAYWAGO-UHFFFAOYSA-N
XLogP1.38
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106983729) is 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)Nc2ccn(C)n2)C1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is IMFHNRCAAYWAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(2)13(11(18)19)5-7-17(8-13)12(20)14-10-4-6-16(3)15-10/h4,6,9H,5,7-8H2,1-3H3,(H,18,19)(H,14,15,20).
What are the key properties of 1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[(1-methylpyrazol-3-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 1.38, 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)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106983729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).