(E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

C14H21N3O2 — CID 115776283

IUPAC(E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESC=CCN(CCO)C(=O)/C=C/c1c(C)nn(C)c1C
InChIInChI=1S/C14H21N3O2/c1-5-8-17(9-10-18)14(19)7-6-13-11(2)15-16(4)12(13)3/h5-7,18H,1,8-10H2,2-4H3/b7-6+
InChIKeyUECHMKOMKJTJGN-VOTSOKGWSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds6

About (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

(E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 115776283) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID115776283
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESC=CCN(CCO)C(=O)/C=C/c1c(C)nn(C)c1C
InChIInChI=1S/C14H21N3O2/c1-5-8-17(9-10-18)14(19)7-6-13-11(2)15-16(4)12(13)3/h5-7,18H,1,8-10H2,2-4H3/b7-6+
InChIKeyUECHMKOMKJTJGN-VOTSOKGWSA-N
XLogP1.06
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 115776283) is (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is C=CCN(CCO)C(=O)/C=C/c1c(C)nn(C)c1C.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is UECHMKOMKJTJGN-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-5-8-17(9-10-18)14(19)7-6-13-11(2)15-16(4)12(13)3/h5-7,18H,1,8-10H2,2-4H3/b7-6+.
What are the key properties of (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
(E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 115776283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).