methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate

C15H19N3O2 — CID 63039954

IUPACmethyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate
SMILESCOC(=O)C(CCn1ncc2ccccc21)NC1CC1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)13(17-12-6-7-12)8-9-18-14-5-3-2-4-11(14)10-16-18/h2-5,10,12-13,17H,6-9H2,1H3
InChIKeyKTRQVTCDQXYWEQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.72
Rot. Bonds6

About methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate

methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate (PubChem CID 63039954) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate
PubChem CID63039954
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate
SMILESCOC(=O)C(CCn1ncc2ccccc21)NC1CC1
InChIInChI=1S/C15H19N3O2/c1-20-15(19)13(17-12-6-7-12)8-9-18-14-5-3-2-4-11(14)10-16-18/h2-5,10,12-13,17H,6-9H2,1H3
InChIKeyKTRQVTCDQXYWEQ-UHFFFAOYSA-N
XLogP1.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate (CID 63039954) is methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate is COC(=O)C(CCn1ncc2ccccc21)NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate?
The InChIKey is KTRQVTCDQXYWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-15(19)13(17-12-6-7-12)8-9-18-14-5-3-2-4-11(14)10-16-18/h2-5,10,12-13,17H,6-9H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate?
methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate has a molecular weight of 273.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-indazol-1-ylbutanoate is sourced from PubChem (CID 63039954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).