N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

C19H24N4O2 — CID 126783511

IUPACN-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCN(C)C(=O)c1cccc(CCNC(=O)C2CCCc3[nH]ncc32)c1
InChIInChI=1S/C19H24N4O2/c1-23(2)19(25)14-6-3-5-13(11-14)9-10-20-18(24)15-7-4-8-17-16(15)12-21-22-17/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyARFNOONDHXFXFN-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.89
Rot. Bonds5

About N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide

N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (PubChem CID 126783511) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
PubChem CID126783511
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
SMILESCN(C)C(=O)c1cccc(CCNC(=O)C2CCCc3[nH]ncc32)c1
InChIInChI=1S/C19H24N4O2/c1-23(2)19(25)14-6-3-5-13(11-14)9-10-20-18(24)15-7-4-8-17-16(15)12-21-22-17/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyARFNOONDHXFXFN-UHFFFAOYSA-N
XLogP1.89
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzylimidazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126781231
N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 122131725
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990795
3-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111771188
N-[(2-cyclobutyloxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126795440
3-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111670275
N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide
CID 139003232
N,N-dimethyl-3-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]benzamide
CID 111771916
3-[2-[[N-[2-cyclopropyl-2-(dimethylamino)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111668519
N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide
CID 99718052
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238
3-[2-[[N-ethyl-N'-[(2-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668574

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The IUPAC name of N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide (CID 126783511) is N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide.
What is the SMILES notation for N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The canonical SMILES for N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is CN(C)C(=O)c1cccc(CCNC(=O)C2CCCc3[nH]ncc32)c1.
What is the InChIKey of N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
The InChIKey is ARFNOONDHXFXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-23(2)19(25)14-6-3-5-13(11-14)9-10-20-18(24)15-7-4-8-17-16(15)12-21-22-17/h3,5-6,11-12,15H,4,7-10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide?
N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide is sourced from PubChem (CID 126783511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).