[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid

C17H23N7O2 — CID 69070221

IUPAC[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid
SMILESCc1cc(CC(NC(=O)O)c2nnnn2CC(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C17H23N7O2/c1-10-5-11(6-12-8-18-20-14(10)12)7-13(19-16(25)26)15-21-22-23-24(15)9-17(2,3)4/h5-6,8,13,19H,7,9H2,1-4H3,(H,18,20)(H,25,26)
InChIKeyVHFVSVOVGTXLHN-UHFFFAOYSA-N
MW357.42 g/mol
LogP2.46
Rot. Bonds5

About [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid

[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid (PubChem CID 69070221) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid.

Molecular Properties

Compound Name[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid
PubChem CID69070221
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid
SMILESCc1cc(CC(NC(=O)O)c2nnnn2CC(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C17H23N7O2/c1-10-5-11(6-12-8-18-20-14(10)12)7-13(19-16(25)26)15-21-22-23-24(15)9-17(2,3)4/h5-6,8,13,19H,7,9H2,1-4H3,(H,18,20)(H,25,26)
InChIKeyVHFVSVOVGTXLHN-UHFFFAOYSA-N
XLogP2.46
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid?
The IUPAC name of [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid (CID 69070221) is [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid.
What is the SMILES notation for [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid?
The canonical SMILES for [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid is Cc1cc(CC(NC(=O)O)c2nnnn2CC(C)(C)C)cc2cn[nH]c12.
What is the InChIKey of [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid?
The InChIKey is VHFVSVOVGTXLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-10-5-11(6-12-8-18-20-14(10)12)7-13(19-16(25)26)15-21-22-23-24(15)9-17(2,3)4/h5-6,8,13,19H,7,9H2,1-4H3,(H,18,20)(H,25,26).
What are the key properties of [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid?
[1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid has a molecular weight of 357.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,2-dimethylpropyl)tetrazol-5-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]carbamic acid is sourced from PubChem (CID 69070221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).