tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid

C13H17N3O3 — CID 118173158

IUPACtert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid
SMILESCOc1cc2[nH]ncc2cc1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H17N3O3/c1-13(2,3)16(12(17)18)10-5-8-7-14-15-9(8)6-11(10)19-4/h5-7H,1-4H3,(H,14,15)(H,17,18)
InChIKeyYWWBXAUEQRKEEL-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid

tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid (PubChem CID 118173158) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid
PubChem CID118173158
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nametert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid
SMILESCOc1cc2[nH]ncc2cc1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C13H17N3O3/c1-13(2,3)16(12(17)18)10-5-8-7-14-15-9(8)6-11(10)19-4/h5-7H,1-4H3,(H,14,15)(H,17,18)
InChIKeyYWWBXAUEQRKEEL-UHFFFAOYSA-N
XLogP2.85
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-methoxy-1H-indazole-5-carboxylate
CID 131750256
(5-bromo-1H-pyrazol-4-yl)-tert-butylcarbamic acid
CID 118897509
methyl 5-methoxy-1H-indazole-6-carboxylate
CID 76846397
(5-methoxy-1H-indazol-6-yl)boronic acid
CID 99942155
6-methoxy-N-methyl-1H-indazol-5-amine
CID 153364692
(6-methoxy-1H-indazol-5-yl)methanamine
CID 117109494
2,6-dimethoxy-N-(5-methyl-1H-indazol-6-yl)benzamide
CID 154835907
methyl 6-propan-2-yloxy-1H-indazole-5-carboxylate
CID 167136916
2-cyclohexylethanol;methyl 6-methoxy-1H-indazole-5-carboxylate
CID 177065402
5-chloro-6-methoxy-1H-pyrazolo[4,3-b]pyridine
CID 154728777
6-chloro-1H-indazole-5-carboxylic acid
CID 117110166
N-(6-methoxy-1H-indazol-5-yl)-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167375608

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid?
The IUPAC name of tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid (CID 118173158) is tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid?
The canonical SMILES for tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid is COc1cc2[nH]ncc2cc1N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid?
The InChIKey is YWWBXAUEQRKEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-13(2,3)16(12(17)18)10-5-8-7-14-15-9(8)6-11(10)19-4/h5-7H,1-4H3,(H,14,15)(H,17,18).
What are the key properties of tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid?
tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid has a molecular weight of 263.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(6-methoxy-1H-indazol-5-yl)carbamic acid is sourced from PubChem (CID 118173158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).