4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide

C21H23N3O2 — CID 155525381

IUPAC4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)n[nH]2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)16-9-5-15(6-10-16)20(25)22-19-13-18(23-24-19)14-7-11-17(26-4)12-8-14/h5-13H,1-4H3,(H2,22,23,24,25)
InChIKeySWSYSJWPIQTZEC-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.64
Rot. Bonds4

About 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide

4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 155525381) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID155525381
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)n[nH]2)cc1
InChIInChI=1S/C21H23N3O2/c1-21(2,3)16-9-5-15(6-10-16)20(25)22-19-13-18(23-24-19)14-7-11-17(26-4)12-8-14/h5-13H,1-4H3,(H2,22,23,24,25)
InChIKeySWSYSJWPIQTZEC-UHFFFAOYSA-N
XLogP4.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide (CID 155525381) is 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide is COc1ccc(-c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)n[nH]2)cc1.
What is the InChIKey of 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is SWSYSJWPIQTZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-21(2,3)16-9-5-15(6-10-16)20(25)22-19-13-18(23-24-19)14-7-11-17(26-4)12-8-14/h5-13H,1-4H3,(H2,22,23,24,25).
What are the key properties of 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 349.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 155525381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).