N-tert-butyl-1H-indazole-5-carboxamide

C12H15N3O — CID 22933425

IUPACN-tert-butyl-1H-indazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H15N3O/c1-12(2,3)14-11(16)8-4-5-10-9(6-8)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyNIHGSCWKCPYUAI-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.09
Rot. Bonds1

About N-tert-butyl-1H-indazole-5-carboxamide

N-tert-butyl-1H-indazole-5-carboxamide (PubChem CID 22933425) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-tert-butyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1H-indazole-5-carboxamide
PubChem CID22933425
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-tert-butyl-1H-indazole-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C12H15N3O/c1-12(2,3)14-11(16)8-4-5-10-9(6-8)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16)
InChIKeyNIHGSCWKCPYUAI-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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Related Compounds

N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
N-cyano-1H-indazole-5-carboxamide
CID 79195271
tert-butyl (2R)-2-(1H-indazole-5-carbonylamino)propanoate
CID 80999514
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
N-(1-amino-2-methylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63194069
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1H-indazole-5-carboxamide?
The IUPAC name of N-tert-butyl-1H-indazole-5-carboxamide (CID 22933425) is N-tert-butyl-1H-indazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1H-indazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-1H-indazole-5-carboxamide is CC(C)(C)NC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-tert-butyl-1H-indazole-5-carboxamide?
The InChIKey is NIHGSCWKCPYUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)14-11(16)8-4-5-10-9(6-8)7-13-15-10/h4-7H,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-tert-butyl-1H-indazole-5-carboxamide?
N-tert-butyl-1H-indazole-5-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-5-carboxamide is sourced from PubChem (CID 22933425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).