1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate

C15H19N3O3 — CID 84600522

IUPAC1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C15H19N3O3/c1-11(10-18-5-7-20-8-6-18)21-15(19)13-4-2-3-12-9-16-17-14(12)13/h2-4,9,11H,5-8,10H2,1H3,(H,16,17)
InChIKeyIAINGETUZGLPKL-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.44
Rot. Bonds4

About 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate

1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate (PubChem CID 84600522) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate
PubChem CID84600522
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate
SMILESCC(CN1CCOCC1)OC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C15H19N3O3/c1-11(10-18-5-7-20-8-6-18)21-15(19)13-4-2-3-12-9-16-17-14(12)13/h2-4,9,11H,5-8,10H2,1H3,(H,16,17)
InChIKeyIAINGETUZGLPKL-UHFFFAOYSA-N
XLogP1.44
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Indazole-7-carboxylic acid
CID 12639205
[(1R)-1-phenylethyl] 7-(7-methyl-1H-indazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 122194522
[(1R)-1-phenylethyl] 8-(7-methyl-1H-indazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 122194526
methyl 1H-indazole-7-carboxylate
CID 24728931
Methyl 1H-indazole-5-carboxylate
CID 22260640
5-methyl-1H-indazole-7-carboxylic acid
CID 47002910
Ethyl 1H-indazole-5-carboxylate
CID 1501980
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-indazole-7-carboxylate
CID 44337916
Methyl 6-amino-1H-indazole-7-carboxylate
CID 12637848
Methyl 1-methyl-1H-indazole-7-carboxylate
CID 37818682
methyl 2-ethyl-2H-indazole-7-carboxylate
CID 168106026
Methyl 1-ethylindazole-7-carboxylate
CID 168106031

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate (CID 84600522) is 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate is CC(CN1CCOCC1)OC(=O)c1cccc2cn[nH]c12.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate?
The InChIKey is IAINGETUZGLPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11(10-18-5-7-20-8-6-18)21-15(19)13-4-2-3-12-9-16-17-14(12)13/h2-4,9,11H,5-8,10H2,1H3,(H,16,17).
What are the key properties of 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate?
1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl 1H-indazole-7-carboxylate is sourced from PubChem (CID 84600522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).