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

C16H21N3O3 — CID 9288074

IUPAC[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCCN(CCC)C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H21N3O3/c1-3-9-19(10-4-2)14(20)11-22-16(21)15-12-7-5-6-8-13(12)17-18-15/h5-8H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyCNSAPAFJTKGWBM-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.37
Rot. Bonds7

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

[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 9288074) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID9288074
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCCN(CCC)C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H21N3O3/c1-3-9-19(10-4-2)14(20)11-22-16(21)15-12-7-5-6-8-13(12)17-18-15/h5-8H,3-4,9-11H2,1-2H3,(H,17,18)
InChIKeyCNSAPAFJTKGWBM-UHFFFAOYSA-N
XLogP2.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288144
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 16525603
[2-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7853627
N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide
CID 60608504
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285
[2-(carbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2626910
[2-[[(2S)-butan-2-yl]-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7956527
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288001
[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2346483

Frequently Asked Questions

What is the IUPAC name of [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 9288074) is [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is CCCN(CCC)C(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is CNSAPAFJTKGWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-9-19(10-4-2)14(20)11-22-16(21)15-12-7-5-6-8-13(12)17-18-15/h5-8H,3-4,9-11H2,1-2H3,(H,17,18).
What are the key properties of [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 9288074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).