(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C16H19N3O2 — CID 109388413

IUPAC(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCC(CO)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N3O2/c1-13(12-20)18(2)16(21)9-8-14-10-17-19(11-14)15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3/b9-8+
InChIKeyYXMBNBZXYWLXKF-CMDGGOBGSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds5

About (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 109388413) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID109388413
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCC(CO)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N3O2/c1-13(12-20)18(2)16(21)9-8-14-10-17-19(11-14)15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3/b9-8+
InChIKeyYXMBNBZXYWLXKF-CMDGGOBGSA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55414593
(E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 97046683
(Z)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 97462604
(E)-3-(1-phenylpyrazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31839809
(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 38271246
(E)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 51230206
(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
(E)-N-butyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 47118618
(E)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9089683
N-(2-hydroxy-2,3-dimethylpentyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111463582

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 109388413) is (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide is CC(CO)N(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1.
What is the InChIKey of (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is YXMBNBZXYWLXKF-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-13(12-20)18(2)16(21)9-8-14-10-17-19(11-14)15-6-4-3-5-7-15/h3-11,13,20H,12H2,1-2H3/b9-8+.
What are the key properties of (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 285.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 109388413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).