N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide

C19H21N3O — CID 22933798

IUPACN-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C19H21N3O/c1-19(2,3)16-7-4-13(5-8-16)11-20-18(23)14-6-9-17-15(10-14)12-21-22-17/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyNJRRRZCQHCKELY-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.79
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide

N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide (PubChem CID 22933798) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
PubChem CID22933798
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C19H21N3O/c1-19(2,3)16-7-4-13(5-8-16)11-20-18(23)14-6-9-17-15(10-14)12-21-22-17/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyNJRRRZCQHCKELY-UHFFFAOYSA-N
XLogP3.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-[(4-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 46341632
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
N-[(1-methylimidazol-2-yl)methyl]-1H-indazole-5-carboxamide
CID 110468627
3-(1H-indazole-5-carbonylamino)propanoic acid
CID 43354730
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide (CID 22933798) is N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide is CC(C)(C)c1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide?
The InChIKey is NJRRRZCQHCKELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)16-7-4-13(5-8-16)11-20-18(23)14-6-9-17-15(10-14)12-21-22-17/h4-10,12H,11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide?
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22933798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).