N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

C19H24F3N3O2 — CID 126700360

IUPACN-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCCCCNC(=O)c1cc(-n2ccc(C(F)(F)F)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H24F3N3O2/c1-5-6-8-23-17(27)13-10-12(11-14(16(13)26)18(2,3)4)25-9-7-15(24-25)19(20,21)22/h7,9-11,26H,5-6,8H2,1-4H3,(H,23,27)
InChIKeyKEYCZIUGGNHXRF-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.42
Rot. Bonds5

About N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide

N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (PubChem CID 126700360) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
PubChem CID126700360
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC NameN-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
SMILESCCCCNC(=O)c1cc(-n2ccc(C(F)(F)F)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H24F3N3O2/c1-5-6-8-23-17(27)13-10-12(11-14(16(13)26)18(2,3)4)25-9-7-15(24-25)19(20,21)22/h7,9-11,26H,5-6,8H2,1-4H3,(H,23,27)
InChIKeyKEYCZIUGGNHXRF-UHFFFAOYSA-N
XLogP4.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 110904260
N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
N-butyl-5-tert-butyl-2-hydroxy-3-pyrazol-1-ylbenzamide
CID 126701320
2,6-ditert-butyl-4-(3-methylpyrazol-1-yl)phenol
CID 12795218
N-(3-amino-3-oxopropyl)-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]benzamide
CID 56573138
ethyl N-[4-methyl-1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]pentan-2-yl]carbamate
CID 60580044
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
4-(methylamino)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]butanamide;hydrochloride
CID 119746075
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
4-amino-N-ethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 63358810
N-tetradecyl-2,5-bis(trifluoromethyl)benzamide
CID 91737858

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The IUPAC name of N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide (CID 126700360) is N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is CCCCNC(=O)c1cc(-n2ccc(C(F)(F)F)n2)cc(C(C)(C)C)c1O.
What is the InChIKey of N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
The InChIKey is KEYCZIUGGNHXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-5-6-8-23-17(27)13-10-12(11-14(16(13)26)18(2,3)4)25-9-7-15(24-25)19(20,21)22/h7,9-11,26H,5-6,8H2,1-4H3,(H,23,27).
What are the key properties of N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide?
N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide has a molecular weight of 383.41 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-tert-butyl-2-hydroxy-5-[3-(trifluoromethyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 126700360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).