N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C17H22N4O3 — CID 58417388

IUPACN-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)c2ccc(C(=O)NO)cc2)n(C)n1
InChIInChI=1S/C17H22N4O3/c1-10(2)14-9-15(21(4)19-14)17(23)18-11(3)12-5-7-13(8-6-12)16(22)20-24/h5-11,24H,1-4H3,(H,18,23)(H,20,22)
InChIKeyKYOFTLPUCHHJHA-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.15
Rot. Bonds5

About N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 58417388) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID58417388
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC(C)c2ccc(C(=O)NO)cc2)n(C)n1
InChIInChI=1S/C17H22N4O3/c1-10(2)14-9-15(21(4)19-14)17(23)18-11(3)12-5-7-13(8-6-12)16(22)20-24/h5-11,24H,1-4H3,(H,18,23)(H,20,22)
InChIKeyKYOFTLPUCHHJHA-UHFFFAOYSA-N
XLogP2.15
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 96582437
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
N-[3-hydroxy-1-(4-methylphenyl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 70758162
3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 93014229
7-N-[1-(4-chlorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 90876175
2,5-dimethyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 78905447
1-methyl-N-[1-(4-methylsulfonylphenyl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50948945
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
N-hydroxy-4-[1-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]ethyl]benzamide
CID 58417487
4-bromo-1-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]pyrrole-2-carboxamide
CID 60698414
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 58417388) is N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NC(C)c2ccc(C(=O)NO)cc2)n(C)n1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is KYOFTLPUCHHJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(2)14-9-15(21(4)19-14)17(23)18-11(3)12-5-7-13(8-6-12)16(22)20-24/h5-11,24H,1-4H3,(H,18,23)(H,20,22).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 58417388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).