2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide

C16H15F3N4O4 — CID 19535215

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cc([N+](=O)[O-])ccc1O)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H15F3N4O4/c1-8(15(25)20-11-6-10(23(26)27)4-5-13(11)24)22-12(9-2-3-9)7-14(21-22)16(17,18)19/h4-9,24H,2-3H2,1H3,(H,20,25)
InChIKeySUSWTBFUIAREOD-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.59
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide (PubChem CID 19535215) has the molecular formula C16H15F3N4O4 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
PubChem CID19535215
Molecular FormulaC16H15F3N4O4
Molecular Weight384.31 g/mol
Exact Mass384.10
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1cc([N+](=O)[O-])ccc1O)n1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H15F3N4O4/c1-8(15(25)20-11-6-10(23(26)27)4-5-13(11)24)22-12(9-2-3-9)7-14(21-22)16(17,18)19/h4-9,24H,2-3H2,1H3,(H,20,25)
InChIKeySUSWTBFUIAREOD-UHFFFAOYSA-N
XLogP3.59
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]propanamide
CID 19535135
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 19534954
N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534958
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylpyrazol-1-yl)propanamide
CID 19537149
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 19532771
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 19535137
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19535075
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534991
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19535072
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 19527281
2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833
2-(cyclopropylmethoxy)-N-(2-hydroxy-5-nitrophenyl)propanamide
CID 102560816

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide (CID 19535215) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide is CC(C(=O)Nc1cc([N+](=O)[O-])ccc1O)n1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide?
The InChIKey is SUSWTBFUIAREOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O4/c1-8(15(25)20-11-6-10(23(26)27)4-5-13(11)24)22-12(9-2-3-9)7-14(21-22)16(17,18)19/h4-9,24H,2-3H2,1H3,(H,20,25).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide has a molecular weight of 384.31 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxy-5-nitrophenyl)propanamide is sourced from PubChem (CID 19535215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).