(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide

C17H21N3O2 — CID 86983051

IUPAC(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCCCn1nccc1NC(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C17H21N3O2/c1-3-4-12-20-16(10-11-18-20)19-17(21)9-8-14-6-5-7-15(13-14)22-2/h5-11,13H,3-4,12H2,1-2H3,(H,19,21)/b9-8+
InChIKeyNSXMUVHMOJZQBJ-CMDGGOBGSA-N
MW299.37 g/mol
LogP3.34
Rot. Bonds7

About (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 86983051) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID86983051
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCCCn1nccc1NC(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C17H21N3O2/c1-3-4-12-20-16(10-11-18-20)19-17(21)9-8-14-6-5-7-15(13-14)22-2/h5-11,13H,3-4,12H2,1-2H3,(H,19,21)/b9-8+
InChIKeyNSXMUVHMOJZQBJ-CMDGGOBGSA-N
XLogP3.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.34
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

(E)-N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51248444
N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 55674580
(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
CID 55778222
(E)-N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 25476830
(E)-3-(3-methoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 9109785
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 8604837
(E)-3-(2-bromophenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
CID 55673218
N-(2-butylpyrazol-3-yl)-2-(3-fluorophenoxy)propanamide
CID 78864792
3-(3,4-dimethoxyphenyl)-N-[2-(naphthalen-1-ylmethyl)pyrazol-3-yl]prop-2-enamide
CID 76862867
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide (CID 86983051) is (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide is CCCCn1nccc1NC(=O)/C=C/c1cccc(OC)c1.
What is the InChIKey of (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is NSXMUVHMOJZQBJ-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-4-12-20-16(10-11-18-20)19-17(21)9-8-14-6-5-7-15(13-14)22-2/h5-11,13H,3-4,12H2,1-2H3,(H,19,21)/b9-8+.
What are the key properties of (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 299.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 86983051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).