N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide

C23H25N3O — CID 11002882

IUPACN-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide
SMILESCc1nn(C(C)(C)C)c(-c2ccccc2)c1/C=C/NC(=O)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-17-20(15-16-24-22(27)19-13-9-6-10-14-19)21(18-11-7-5-8-12-18)26(25-17)23(2,3)4/h5-16H,1-4H3,(H,24,27)/b16-15+
InChIKeyUUXHPFNGJFOKBP-FOCLMDBBSA-N
MW359.47 g/mol
LogP5.01
Rot. Bonds4

About N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide

N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide (PubChem CID 11002882) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide
PubChem CID11002882
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide
SMILESCc1nn(C(C)(C)C)c(-c2ccccc2)c1/C=C/NC(=O)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-17-20(15-16-24-22(27)19-13-9-6-10-14-19)21(18-11-7-5-8-12-18)26(25-17)23(2,3)4/h5-16H,1-4H3,(H,24,27)/b16-15+
InChIKeyUUXHPFNGJFOKBP-FOCLMDBBSA-N
XLogP5.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-2-benzamido-3-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)prop-2-enoic acid
CID 11784437
N-(3,3-dimethylbut-1-enyl)benzamide
CID 134831914
N-[2-(4-hydroxyphenyl)ethenyl]benzamide
CID 571205
N-[(Z)-2-methoxyethenyl]benzamide
CID 92959913
N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
CID 102327969
(E)-2-benzamido-3-[1-(4-chlorophenyl)-3-methyl-5-phenylpyrazol-4-yl]prop-2-enoic acid
CID 10906605
N-[2-[2-(aminomethyl)phenyl]ethenyl]benzamide
CID 174871925
N-[2-(4-chlorophenyl)ethenyl]benzamide
CID 76527848
N-[(Z)-3-oxo-3-phenylprop-1-enyl]benzamide
CID 102308068
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
N-[(Z)-2-naphthalen-2-ylethenyl]benzamide
CID 177309001
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide?
The IUPAC name of N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide (CID 11002882) is N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide.
What is the SMILES notation for N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide?
The canonical SMILES for N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide is Cc1nn(C(C)(C)C)c(-c2ccccc2)c1/C=C/NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide?
The InChIKey is UUXHPFNGJFOKBP-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-20(15-16-24-22(27)19-13-9-6-10-14-19)21(18-11-7-5-8-12-18)26(25-17)23(2,3)4/h5-16H,1-4H3,(H,24,27)/b16-15+.
What are the key properties of N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide?
N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide has a molecular weight of 359.47 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(1-tert-butyl-3-methyl-5-phenylpyrazol-4-yl)ethenyl]benzamide is sourced from PubChem (CID 11002882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).