(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide

C25H28N4O — CID 9167966

IUPAC(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCN1CCC(N(C)C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C25H28N4O/c1-27-17-15-22(16-18-27)28(2)24(30)14-13-21-19-29(23-11-7-4-8-12-23)26-25(21)20-9-5-3-6-10-20/h3-14,19,22H,15-18H2,1-2H3/b14-13+
InChIKeyOXKWTCHMBPRQJR-BUHFOSPRSA-N
MW400.53 g/mol
LogP4.11
Rot. Bonds5

About (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide

(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide (PubChem CID 9167966) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
PubChem CID9167966
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
SMILESCN1CCC(N(C)C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C25H28N4O/c1-27-17-15-22(16-18-27)28(2)24(30)14-13-21-19-29(23-11-7-4-8-12-23)26-25(21)20-9-5-3-6-10-20/h3-14,19,22H,15-18H2,1-2H3/b14-13+
InChIKeyOXKWTCHMBPRQJR-BUHFOSPRSA-N
XLogP4.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide 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

N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 4784426
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylprop-2-enamide
CID 42893938
(E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide
CID 60609193
(Z)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-cyclohexyl-N-methylprop-2-enamide
CID 2123513
N-(1,1-dioxothiolan-3-yl)-3-(1,3-diphenylpyrazol-4-yl)-N-[(4-ethylphenyl)methyl]prop-2-enamide
CID 3370950
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543200
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682
3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770992
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-[2-(dimethylamino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9227007
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 78838072
N,N-diethyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 1340732

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide (CID 9167966) is (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide is CN1CCC(N(C)C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
The InChIKey is OXKWTCHMBPRQJR-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H28N4O/c1-27-17-15-22(16-18-27)28(2)24(30)14-13-21-19-29(23-11-7-4-8-12-23)26-25(21)20-9-5-3-6-10-20/h3-14,19,22H,15-18H2,1-2H3/b14-13+.
What are the key properties of (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide?
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide has a molecular weight of 400.53 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide is sourced from PubChem (CID 9167966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).