N-tert-butyl-1H-indazole-7-carboxamide

C12H15N3O — CID 47154069

IUPACN-tert-butyl-1H-indazole-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C12H15N3O/c1-12(2,3)14-11(16)9-6-4-5-8-7-13-15-10(8)9/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyWRDUXSGUYODZGR-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.09
Rot. Bonds1

About N-tert-butyl-1H-indazole-7-carboxamide

N-tert-butyl-1H-indazole-7-carboxamide (PubChem CID 47154069) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-tert-butyl-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1H-indazole-7-carboxamide
PubChem CID47154069
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-tert-butyl-1H-indazole-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C12H15N3O/c1-12(2,3)14-11(16)9-6-4-5-8-7-13-15-10(8)9/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyWRDUXSGUYODZGR-UHFFFAOYSA-N
XLogP2.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1H-indazole-7-carboxamide?
The IUPAC name of N-tert-butyl-1H-indazole-7-carboxamide (CID 47154069) is N-tert-butyl-1H-indazole-7-carboxamide.
What is the SMILES notation for N-tert-butyl-1H-indazole-7-carboxamide?
The canonical SMILES for N-tert-butyl-1H-indazole-7-carboxamide is CC(C)(C)NC(=O)c1cccc2cn[nH]c12.
What is the InChIKey of N-tert-butyl-1H-indazole-7-carboxamide?
The InChIKey is WRDUXSGUYODZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)14-11(16)9-6-4-5-8-7-13-15-10(8)9/h4-7H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-tert-butyl-1H-indazole-7-carboxamide?
N-tert-butyl-1H-indazole-7-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1H-indazole-7-carboxamide is sourced from PubChem (CID 47154069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).