5-tert-butylindazole-1-carboxamide

C12H15N3O — CID 166767323

IUPAC5-tert-butylindazole-1-carboxamide
SMILESCC(C)(C)c1ccc2c(cnn2C(N)=O)c1
InChIInChI=1S/C12H15N3O/c1-12(2,3)9-4-5-10-8(6-9)7-14-15(10)11(13)16/h4-7H,1-3H3,(H2,13,16)
InChIKeyYRQMGIUSJHWEBU-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.26
Rot. Bonds

About 5-tert-butylindazole-1-carboxamide

5-tert-butylindazole-1-carboxamide (PubChem CID 166767323) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-tert-butylindazole-1-carboxamide.

Molecular Properties

Compound Name5-tert-butylindazole-1-carboxamide
PubChem CID166767323
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-tert-butylindazole-1-carboxamide
SMILESCC(C)(C)c1ccc2c(cnn2C(N)=O)c1
InChIInChI=1S/C12H15N3O/c1-12(2,3)9-4-5-10-8(6-9)7-14-15(10)11(13)16/h4-7H,1-3H3,(H2,13,16)
InChIKeyYRQMGIUSJHWEBU-UHFFFAOYSA-N
XLogP2.26
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylindazole-1-carboxamide?
The IUPAC name of 5-tert-butylindazole-1-carboxamide (CID 166767323) is 5-tert-butylindazole-1-carboxamide.
What is the SMILES notation for 5-tert-butylindazole-1-carboxamide?
The canonical SMILES for 5-tert-butylindazole-1-carboxamide is CC(C)(C)c1ccc2c(cnn2C(N)=O)c1.
What is the InChIKey of 5-tert-butylindazole-1-carboxamide?
The InChIKey is YRQMGIUSJHWEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)9-4-5-10-8(6-9)7-14-15(10)11(13)16/h4-7H,1-3H3,(H2,13,16).
What are the key properties of 5-tert-butylindazole-1-carboxamide?
5-tert-butylindazole-1-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylindazole-1-carboxamide is sourced from PubChem (CID 166767323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).