[2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

C14H17N3O3 — CID 2117770

IUPAC[2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC(C)CNC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(2)7-15-12(18)8-20-14(19)13-10-5-3-4-6-11(10)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyNKRSYTYUMVIAOS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.49
Rot. Bonds5

About [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2117770) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2117770
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCC(C)CNC(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-9(2)7-15-12(18)8-20-14(19)13-10-5-3-4-6-11(10)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyNKRSYTYUMVIAOS-UHFFFAOYSA-N
XLogP1.49
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2117770) is [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is CC(C)CNC(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is NKRSYTYUMVIAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)7-15-12(18)8-20-14(19)13-10-5-3-4-6-11(10)16-17-13/h3-6,9H,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2117770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).