(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide

C14H15N3O — CID 110478051

IUPAC(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C14H15N3O/c1-3-5-14(18)16-13-7-4-6-11(8-13)12-9-15-17(2)10-12/h3-10H,1-2H3,(H,16,18)/b5-3+
InChIKeyMRSMNKBVVKWTDH-HWKANZROSA-N
MW241.29 g/mol
LogP2.60
Rot. Bonds3

About (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide

(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide (PubChem CID 110478051) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
PubChem CID110478051
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide
SMILESC/C=C/C(=O)Nc1cccc(-c2cnn(C)c2)c1
InChIInChI=1S/C14H15N3O/c1-3-5-14(18)16-13-7-4-6-11(8-13)12-9-15-17(2)10-12/h3-10H,1-2H3,(H,16,18)/b5-3+
InChIKeyMRSMNKBVVKWTDH-HWKANZROSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
4-amino-N-[3-(1-methylpyrazol-4-yl)phenyl]butanamide
CID 110479939
N-methyl-3-(1-methylpyrazol-4-yl)aniline
CID 106505763
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979
3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
(E)-N-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 29110301
(E)-N-[3-[[[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]but-2-enamide
CID 155556321
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide?
The IUPAC name of (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide (CID 110478051) is (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide.
What is the SMILES notation for (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide?
The canonical SMILES for (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide is C/C=C/C(=O)Nc1cccc(-c2cnn(C)c2)c1.
What is the InChIKey of (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide?
The InChIKey is MRSMNKBVVKWTDH-HWKANZROSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-5-14(18)16-13-7-4-6-11(8-13)12-9-15-17(2)10-12/h3-10H,1-2H3,(H,16,18)/b5-3+.
What are the key properties of (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide?
(E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide has a molecular weight of 241.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(1-methylpyrazol-4-yl)phenyl]but-2-enamide is sourced from PubChem (CID 110478051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).