4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide

C23H25N3O2 — CID 3385279

IUPAC4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C)n(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1
InChIInChI=1S/C23H25N3O2/c1-15-14-16(2)26(25-15)22(28)18-8-12-20(13-9-18)24-21(27)17-6-10-19(11-7-17)23(3,4)5/h6-14H,1-5H3,(H,24,27)
InChIKeyZQZKGLDDJNISIQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.74
Rot. Bonds3

About 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide

4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide (PubChem CID 3385279) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide
PubChem CID3385279
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide
SMILESCc1cc(C)n(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1
InChIInChI=1S/C23H25N3O2/c1-15-14-16(2)26(25-15)22(28)18-8-12-20(13-9-18)24-21(27)17-6-10-19(11-7-17)23(3,4)5/h6-14H,1-5H3,(H,24,27)
InChIKeyZQZKGLDDJNISIQ-UHFFFAOYSA-N
XLogP4.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110685894
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N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
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N-(4-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
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4-tert-butyl-N-(4-carbamoylphenyl)benzamide
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CID 4862154
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-tert-butyl-N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]benzamide
CID 50748478
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
CID 103891366
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide (CID 3385279) is 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide is Cc1cc(C)n(C(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1.
What is the InChIKey of 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide?
The InChIKey is ZQZKGLDDJNISIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-14-16(2)26(25-15)22(28)18-8-12-20(13-9-18)24-21(27)17-6-10-19(11-7-17)23(3,4)5/h6-14H,1-5H3,(H,24,27).
What are the key properties of 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide?
4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(3,5-dimethylpyrazole-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 3385279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).