(E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

C26H32N4O2 — CID 143868026

IUPAC(E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCCN(CCc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C26H32N4O2/c1-4-17-29(19-23-12-10-22(11-13-23)14-15-26(31)28-32)18-16-25-20(2)27-30(21(25)3)24-8-6-5-7-9-24/h5-15,32H,4,16-19H2,1-3H3,(H,28,31)/b15-14+
InChIKeyOZOHZSXKMXMSJI-CCEZHUSRSA-N
MW432.57 g/mol
LogP4.46
Rot. Bonds10

About (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 143868026) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID143868026
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name(E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCCN(CCc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C26H32N4O2/c1-4-17-29(19-23-12-10-22(11-13-23)14-15-26(31)28-32)18-16-25-20(2)27-30(21(25)3)24-8-6-5-7-9-24/h5-15,32H,4,16-19H2,1-3H3,(H,28,31)/b15-14+
InChIKeyOZOHZSXKMXMSJI-CCEZHUSRSA-N
XLogP4.46
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 143867987
(E)-3-[4-[[ethyl(3-phenylpropyl)amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 20579472
(E)-N-hydroxy-3-[4-[[methyl(propyl)amino]methyl]phenyl]prop-2-enamide
CID 20579481
(E)-3-(4-cyanophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 9118596
N-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl]pentanamide
CID 110717337
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoic acid
CID 783981
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 24611227
(E)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 18227803
(Z)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 97428954
ethane;(E)-N-hydroxy-3-[4-[[2-hydroxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]prop-2-enamide
CID 90853890
(E)-3-[4-[[ethyl-[2-(1H-indol-4-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118150331
(E)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 134014040

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide (CID 143868026) is (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is CCCN(CCc1c(C)nn(-c2ccccc2)c1C)Cc1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is OZOHZSXKMXMSJI-CCEZHUSRSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-4-17-29(19-23-12-10-22(11-13-23)14-15-26(31)28-32)18-16-25-20(2)27-30(21(25)3)24-8-6-5-7-9-24/h5-15,32H,4,16-19H2,1-3H3,(H,28,31)/b15-14+.
What are the key properties of (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 432.57 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethyl-propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 143868026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).