N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide

C22H24FN3O2 — CID 119071382

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(-c2cc(F)ccc2O)cc1
InChIInChI=1S/C22H24FN3O2/c1-22(2,3)20-12-17(24-25-20)13-26(4)21(28)15-7-5-14(6-8-15)18-11-16(23)9-10-19(18)27/h5-12,27H,13H2,1-4H3,(H,24,25)
InChIKeyJOBDEWFNZCBSRJ-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.49
Rot. Bonds4

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide (PubChem CID 119071382) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide
PubChem CID119071382
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(-c2cc(F)ccc2O)cc1
InChIInChI=1S/C22H24FN3O2/c1-22(2,3)20-12-17(24-25-20)13-26(4)21(28)15-7-5-14(6-8-15)18-11-16(23)9-10-19(18)27/h5-12,27H,13H2,1-4H3,(H,24,25)
InChIKeyJOBDEWFNZCBSRJ-UHFFFAOYSA-N
XLogP4.49
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 50982286
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-indole-6-carboxamide
CID 91790635
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methyl-3-(1,2,4-triazol-4-yl)benzamide
CID 56745611
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97207810
3-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]propanoic acid
CID 120586281
2-[(3-tert-butyl-1H-pyrazol-5-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 56714451
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-methylacetamide
CID 56718362
4-(5-fluoroquinolin-3-yl)-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 162633536
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-3-(3-methylsulfanylphenyl)urea
CID 72919468
4-(3-methoxyphenyl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]benzamide
CID 77097945
4-(2-hydroxy-5-methoxyphenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 122567311
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide (CID 119071382) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1ccc(-c2cc(F)ccc2O)cc1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide?
The InChIKey is JOBDEWFNZCBSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-22(2,3)20-12-17(24-25-20)13-26(4)21(28)15-7-5-14(6-8-15)18-11-16(23)9-10-19(18)27/h5-12,27H,13H2,1-4H3,(H,24,25).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide has a molecular weight of 381.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(5-fluoro-2-hydroxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 119071382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).