1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid

C16H19N3O2 — CID 79646182

IUPAC1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(n2ncc3ccccc32)C1
InChIInChI=1S/C16H19N3O2/c20-15(21)16(18-12-5-6-12)8-7-13(9-16)19-14-4-2-1-3-11(14)10-17-19/h1-4,10,12-13,18H,5-9H2,(H,20,21)
InChIKeyVUPHAGDIZJDROF-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.34
Rot. Bonds4

About 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid (PubChem CID 79646182) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid
PubChem CID79646182
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(n2ncc3ccccc32)C1
InChIInChI=1S/C16H19N3O2/c20-15(21)16(18-12-5-6-12)8-7-13(9-16)19-14-4-2-1-3-11(14)10-17-19/h1-4,10,12-13,18H,5-9H2,(H,20,21)
InChIKeyVUPHAGDIZJDROF-UHFFFAOYSA-N
XLogP2.34
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid (CID 79646182) is 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCC(n2ncc3ccccc32)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid?
The InChIKey is VUPHAGDIZJDROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(21)16(18-12-5-6-12)8-7-13(9-16)19-14-4-2-1-3-11(14)10-17-19/h1-4,10,12-13,18H,5-9H2,(H,20,21).
What are the key properties of 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-indazol-1-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79646182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).