(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide

C17H22N4O2 — CID 48528185

IUPAC(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
SMILESCOCCn1nc(C)c(CNC(=O)/C=C/c2cccnc2)c1C
InChIInChI=1S/C17H22N4O2/c1-13-16(14(2)21(20-13)9-10-23-3)12-19-17(22)7-6-15-5-4-8-18-11-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)/b7-6+
InChIKeyBJUZLTFQIRAFSX-VOTSOKGWSA-N
MW314.39 g/mol
LogP1.87
Rot. Bonds7

About (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 48528185) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID48528185
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
SMILESCOCCn1nc(C)c(CNC(=O)/C=C/c2cccnc2)c1C
InChIInChI=1S/C17H22N4O2/c1-13-16(14(2)21(20-13)9-10-23-3)12-19-17(22)7-6-15-5-4-8-18-11-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)/b7-6+
InChIKeyBJUZLTFQIRAFSX-VOTSOKGWSA-N
XLogP1.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 27331380
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
(E)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 8943973
4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide
CID 86846936
(E)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 8943367
(E)-N-[(6-methylpyrimidin-4-yl)methyl]-3-pyridin-3-ylprop-2-enamide
CID 122263482
2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
CID 47079521
4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
CID 86850984
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1H-indazole-7-carboxamide
CID 47079610
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 48519340
methyl 2-hydroxy-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate
CID 103879653
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide (CID 48528185) is (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide is COCCn1nc(C)c(CNC(=O)/C=C/c2cccnc2)c1C.
What is the InChIKey of (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is BJUZLTFQIRAFSX-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-16(14(2)21(20-13)9-10-23-3)12-19-17(22)7-6-15-5-4-8-18-11-15/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)/b7-6+.
What are the key properties of (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 314.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 48528185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).