(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide

C16H23N5O — CID 6003962

IUPAC(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCc2c(C)nn(C)c2C)c1C
InChIInChI=1S/C16H23N5O/c1-6-21-12(3)14(9-18-21)7-8-16(22)17-10-15-11(2)19-20(5)13(15)4/h7-9H,6,10H2,1-5H3,(H,17,22)/b8-7+
InChIKeyWPRFHYXRPIKFRE-BQYQJAHWSA-N
MW301.39 g/mol
LogP1.89
Rot. Bonds5

About (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide

(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide (PubChem CID 6003962) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide
PubChem CID6003962
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide
SMILESCCn1ncc(/C=C/C(=O)NCc2c(C)nn(C)c2C)c1C
InChIInChI=1S/C16H23N5O/c1-6-21-12(3)14(9-18-21)7-8-16(22)17-10-15-11(2)19-20(5)13(15)4/h7-9H,6,10H2,1-5H3,(H,17,22)/b8-7+
InChIKeyWPRFHYXRPIKFRE-BQYQJAHWSA-N
XLogP1.89
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide (CID 6003962) is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide is CCn1ncc(/C=C/C(=O)NCc2c(C)nn(C)c2C)c1C.
What is the InChIKey of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide?
The InChIKey is WPRFHYXRPIKFRE-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-6-21-12(3)14(9-18-21)7-8-16(22)17-10-15-11(2)19-20(5)13(15)4/h7-9H,6,10H2,1-5H3,(H,17,22)/b8-7+.
What are the key properties of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide?
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide has a molecular weight of 301.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 6003962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).