1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C16H24N4O3 — CID 122011554

IUPAC1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)n1ncc2c1CC(NC(=O)N1CCC(C(=O)O)C1)CC2
InChIInChI=1S/C16H24N4O3/c1-10(2)20-14-7-13(4-3-11(14)8-17-20)18-16(23)19-6-5-12(9-19)15(21)22/h8,10,12-13H,3-7,9H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyKSNKUZYKWGTULR-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.44
Rot. Bonds3

About 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 122011554) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID122011554
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)n1ncc2c1CC(NC(=O)N1CCC(C(=O)O)C1)CC2
InChIInChI=1S/C16H24N4O3/c1-10(2)20-14-7-13(4-3-11(14)8-17-20)18-16(23)19-6-5-12(9-19)15(21)22/h8,10,12-13H,3-7,9H2,1-2H3,(H,18,23)(H,21,22)
InChIKeyKSNKUZYKWGTULR-UHFFFAOYSA-N
XLogP1.44
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 122011554) is 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CC(C)n1ncc2c1CC(NC(=O)N1CCC(C(=O)O)C1)CC2.
What is the InChIKey of 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is KSNKUZYKWGTULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10(2)20-14-7-13(4-3-11(14)8-17-20)18-16(23)19-6-5-12(9-19)15(21)22/h8,10,12-13H,3-7,9H2,1-2H3,(H,18,23)(H,21,22).
What are the key properties of 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-yl-4,5,6,7-tetrahydroindazol-6-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122011554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).