tert-butyl 3-(methylamino)indazole-1-carboxylate

C13H17N3O2 — CID 175803932

IUPACtert-butyl 3-(methylamino)indazole-1-carboxylate
SMILESCNc1nn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-10-8-6-5-7-9(10)11(14-4)15-16/h5-8H,1-4H3,(H,14,15)
InChIKeyDTOMSWWNGWHLSG-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.86
Rot. Bonds1

About tert-butyl 3-(methylamino)indazole-1-carboxylate

tert-butyl 3-(methylamino)indazole-1-carboxylate (PubChem CID 175803932) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is tert-butyl 3-(methylamino)indazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(methylamino)indazole-1-carboxylate
PubChem CID175803932
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nametert-butyl 3-(methylamino)indazole-1-carboxylate
SMILESCNc1nn(C(=O)OC(C)(C)C)c2ccccc12
InChIInChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-10-8-6-5-7-9(10)11(14-4)15-16/h5-8H,1-4H3,(H,14,15)
InChIKeyDTOMSWWNGWHLSG-UHFFFAOYSA-N
XLogP2.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)indazole-1-carboxylate
CID 151462343
tert-butyl 3-(2-bromoethyl)indazole-1-carboxylate
CID 174529401
tert-butyl 3-[4-(hydroxymethyl)phenyl]indazole-1-carboxylate
CID 67059747
tert-butyl 3-(3-amino-2-carbamoyl-3-oxoprop-1-enyl)indazole-1-carboxylate
CID 143150338
tert-butyl 3-(7,8,9,10-tetrahydrochrysen-1-yl)indazole-1-carboxylate
CID 174706046
2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid
CID 155889448
tert-butyl 3-(2,6-difluoro-4-methoxybenzoyl)indazole-1-carboxylate
CID 102150003
1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate
CID 138644315
tert-butyl 4-oxoquinoline-1-carboxylate
CID 71540334
tert-butyl 5-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]indazole-1-carboxylate
CID 131846569
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]methyl]indole-1-carboxylate
CID 11719273
tert-butyl 3-[(S)-[[(R)-tert-butylsulfinyl]amino]-[2-(2-phenylmethoxyethyl)phenyl]methyl]indazole-1-carboxylate
CID 134280492

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(methylamino)indazole-1-carboxylate?
The IUPAC name of tert-butyl 3-(methylamino)indazole-1-carboxylate (CID 175803932) is tert-butyl 3-(methylamino)indazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(methylamino)indazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-(methylamino)indazole-1-carboxylate is CNc1nn(C(=O)OC(C)(C)C)c2ccccc12.
What is the InChIKey of tert-butyl 3-(methylamino)indazole-1-carboxylate?
The InChIKey is DTOMSWWNGWHLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)16-10-8-6-5-7-9(10)11(14-4)15-16/h5-8H,1-4H3,(H,14,15).
What are the key properties of tert-butyl 3-(methylamino)indazole-1-carboxylate?
tert-butyl 3-(methylamino)indazole-1-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(methylamino)indazole-1-carboxylate is sourced from PubChem (CID 175803932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).