N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide

C17H17N3O — CID 36563064

IUPACN-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O/c1-12-2-4-13(5-3-12)6-9-17(21)19-15-8-7-14-11-18-20-16(14)10-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZKFZYMCFCZDHCA-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

About N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide

N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide (PubChem CID 36563064) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
PubChem CID36563064
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3cn[nH]c3c2)cc1
InChIInChI=1S/C17H17N3O/c1-12-2-4-13(5-3-12)6-9-17(21)19-15-8-7-14-11-18-20-16(14)10-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyZKFZYMCFCZDHCA-UHFFFAOYSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-N-(1H-indazol-6-yl)propanamide
CID 36561610
N-(1H-indazol-6-yl)-3-(2-methylphenyl)propanamide
CID 110731205
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
N,3-bis(4-methylphenyl)propanamide
CID 19220434
5-amino-N-(1H-indazol-6-yl)-4-methylpentanamide
CID 82012714
3-(5-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166365205
2-(4-aminophenyl)-N-(1H-indazol-6-yl)acetamide
CID 43710788
3-(4-bromothiophen-2-yl)-N-(1H-indazol-6-yl)propanamide
CID 166179582
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(1H-indazol-6-yl)propanamide
CID 47030832
2-amino-N-[2-(1H-indazol-6-ylamino)-2-oxoethyl]acetamide
CID 60849787
N-(1H-indazol-6-yl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 110772201
N-(1H-indazol-6-yl)-3,5-dimethylbenzamide
CID 36560760

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide (CID 36563064) is N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc3cn[nH]c3c2)cc1.
What is the InChIKey of N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is ZKFZYMCFCZDHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-2-4-13(5-3-12)6-9-17(21)19-15-8-7-14-11-18-20-16(14)10-15/h2-5,7-8,10-11H,6,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide?
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 36563064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).