N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide

C17H17N3O — CID 110485449

IUPACN-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H17N3O/c1-3-12-6-4-5-11(2)16(12)19-17(21)13-7-8-15-14(9-13)10-18-20-15/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUIWLGHYRKPOHNN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.69
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide

N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide (PubChem CID 110485449) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide
PubChem CID110485449
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H17N3O/c1-3-12-6-4-5-11(2)16(12)19-17(21)13-7-8-15-14(9-13)10-18-20-15/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyUIWLGHYRKPOHNN-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1H-indole-6-carboxamide
CID 60773719
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CID 43325541
3-bromo-N-(2-ethyl-6-methylphenyl)-4-methylbenzamide
CID 4936095
N-(2-ethyl-6-methylphenyl)-3-iodo-4-methylbenzamide
CID 4936097
N-(2-ethyl-6-methylphenyl)-3-methyl-4-(methylamino)benzamide
CID 63209862
N-(2-ethyl-6-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858019
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
4-tert-butyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 1226062
N-(2-ethyl-6-methylphenyl)-4-sulfanylbenzamide
CID 107019746

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide (CID 110485449) is N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide?
The InChIKey is UIWLGHYRKPOHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-3-12-6-4-5-11(2)16(12)19-17(21)13-7-8-15-14(9-13)10-18-20-15/h4-10H,3H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide?
N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 110485449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).