1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide

C26H24FN3O2 — CID 143451908

IUPAC1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O2/c1-26(2,3)30-24(18-12-14-19(27)15-13-18)23(17-28-30)25(31)29-20-8-7-11-22(16-20)32-21-9-5-4-6-10-21/h4-17H,1-3H3,(H,29,31)
InChIKeyYNHZZECZLWIXFP-UHFFFAOYSA-N
MW429.50 g/mol
LogP6.49
Rot. Bonds5

About 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide

1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide (PubChem CID 143451908) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide
PubChem CID143451908
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide
SMILESCC(C)(C)n1ncc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1-c1ccc(F)cc1
InChIInChI=1S/C26H24FN3O2/c1-26(2,3)30-24(18-12-14-19(27)15-13-18)23(17-28-30)25(31)29-20-8-7-11-22(16-20)32-21-9-5-4-6-10-21/h4-17H,1-3H3,(H,29,31)
InChIKeyYNHZZECZLWIXFP-UHFFFAOYSA-N
XLogP6.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-[[1-tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indol-1-yl]pentanoic acid
CID 143452106
1-tert-butyl-N-[3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-4-methylphenyl]-5-(4-fluorophenyl)pyrazole-4-carboxamide
CID 143451978
1-tert-butyl-N-[1-(3-cyanopropyl)indol-6-yl]-5-(4-fluorophenyl)pyrazole-4-carboxamide
CID 143451669
1-tert-butyl-5-(4-fluorophenyl)-N-[1-(5,5,6,6,6-pentafluorohexyl)indol-6-yl]pyrazole-4-carboxamide
CID 143452031
1-(3-fluorophenyl)-N-(3-methoxyphenyl)-5-pyridin-4-ylpyrazole-4-carboxamide
CID 11574604
1-tert-butyl-N-[4-chloro-3-[[(1R,2R,3R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]carbamoyl]phenyl]-5-(4-fluorophenyl)pyrazole-4-carboxamide
CID 143452336
4-[4-[[6-[[1-tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]indazol-1-yl]methyl]piperidin-1-yl]benzoic acid
CID 16660329
N-(3-fluorophenyl)-2-phenoxybenzamide
CID 876611
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
4-[1-[5-[[1-tert-butyl-5-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-2,4-dimethoxybenzoyl]piperidin-4-yl]benzoic acid
CID 143452149
5-(3-phenoxyphenyl)-N-phenyl-1H-imidazole-2-carboxamide
CID 162469155

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide (CID 143451908) is 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide is CC(C)(C)n1ncc(C(=O)Nc2cccc(Oc3ccccc3)c2)c1-c1ccc(F)cc1.
What is the InChIKey of 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is YNHZZECZLWIXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-26(2,3)30-24(18-12-14-19(27)15-13-18)23(17-28-30)25(31)29-20-8-7-11-22(16-20)32-21-9-5-4-6-10-21/h4-17H,1-3H3,(H,29,31).
What are the key properties of 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide?
1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(4-fluorophenyl)-N-(3-phenoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 143451908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).