N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane

C18H24N4O3 — CID 159508218

IUPACN-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane
SMILESC.CC(NC(=O)c1n[nH]c2c1CCCC2)c1cccc(C(=O)NO)c1
InChIInChI=1S/C17H20N4O3.CH4/c1-10(11-5-4-6-12(9-11)16(22)21-24)18-17(23)15-13-7-2-3-8-14(13)19-20-15;/h4-6,9-10,24H,2-3,7-8H2,1H3,(H,18,23)(H,19,20)(H,21,22);1H4
InChIKeyMAGOZDTYNMVXTN-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.53
Rot. Bonds4

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

N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane (PubChem CID 159508218) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane.

Molecular Properties

Compound NameN-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane
PubChem CID159508218
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane
SMILESC.CC(NC(=O)c1n[nH]c2c1CCCC2)c1cccc(C(=O)NO)c1
InChIInChI=1S/C17H20N4O3.CH4/c1-10(11-5-4-6-12(9-11)16(22)21-24)18-17(23)15-13-7-2-3-8-14(13)19-20-15;/h4-6,9-10,24H,2-3,7-8H2,1H3,(H,18,23)(H,19,20)(H,21,22);1H4
InChIKeyMAGOZDTYNMVXTN-UHFFFAOYSA-N
XLogP2.53
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820248
N-[1-(4-bromophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112842470
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 87388197
N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-[(2S,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 124721703
3-[(1R)-1-(tert-butylcarbamoylamino)ethyl]-N-hydroxybenzamide
CID 58417166
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 58417491
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110621461
N-[1-(3-benzamidophenyl)ethyl]-4-bromo-5-methyl-1H-pyrazole-3-carboxamide
CID 55884946
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
2,3-dimethyl-2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)butanoic acid
CID 75497786

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane?
The IUPAC name of N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane (CID 159508218) is N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane.
What is the SMILES notation for N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane?
The canonical SMILES for N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane is C.CC(NC(=O)c1n[nH]c2c1CCCC2)c1cccc(C(=O)NO)c1.
What is the InChIKey of N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane?
The InChIKey is MAGOZDTYNMVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.CH4/c1-10(11-5-4-6-12(9-11)16(22)21-24)18-17(23)15-13-7-2-3-8-14(13)19-20-15;/h4-6,9-10,24H,2-3,7-8H2,1H3,(H,18,23)(H,19,20)(H,21,22);1H4.
What are the key properties of N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane?
N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane has a molecular weight of 344.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(hydroxycarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;methane is sourced from PubChem (CID 159508218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).