N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide

C23H24N4O2 — CID 98931509

IUPACN-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H24N4O2/c1-23(2,3)26-22(29)19-11-7-8-12-20(19)25-21(28)14-13-17-15-24-27(16-17)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,25,28)(H,26,29)/b14-13+
InChIKeyCTBDGALASOBJHE-BUHFOSPRSA-N
MW388.47 g/mol
LogP4.05
Rot. Bonds5

About N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide

N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide (PubChem CID 98931509) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide
PubChem CID98931509
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1
InChIInChI=1S/C23H24N4O2/c1-23(2,3)26-22(29)19-11-7-8-12-20(19)25-21(28)14-13-17-15-24-27(16-17)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,25,28)(H,26,29)/b14-13+
InChIKeyCTBDGALASOBJHE-BUHFOSPRSA-N
XLogP4.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34759044
N-tert-butyl-2-(3-phenylprop-2-enoylamino)benzamide
CID 5153514
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 8547505
methyl 4,5-dimethoxy-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzoate
CID 26694596
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
4-fluoro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8870842
1-(2-fluorophenyl)-3-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiourea
CID 9085203
(E)-N-(3-methylsulfanylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9072683
(E)-N-(2-morpholin-4-yl-3-pyridinyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 60576773
(E)-N-(2-ethyl-6-methylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46615951
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide?
The IUPAC name of N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide (CID 98931509) is N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide?
The InChIKey is CTBDGALASOBJHE-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-23(2,3)26-22(29)19-11-7-8-12-20(19)25-21(28)14-13-17-15-24-27(16-17)18-9-5-4-6-10-18/h4-16H,1-3H3,(H,25,28)(H,26,29)/b14-13+.
What are the key properties of N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide?
N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide has a molecular weight of 388.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]benzamide is sourced from PubChem (CID 98931509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).