(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

C20H19N3O2 — CID 36842749

IUPAC(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NC2CC2)o1
InChIInChI=1S/C20H19N3O2/c1-14-7-11-18(25-14)20-15(8-12-19(24)21-16-9-10-16)13-23(22-20)17-5-3-2-4-6-17/h2-8,11-13,16H,9-10H2,1H3,(H,21,24)/b12-8+
InChIKeyZXXHYKDMBXNTIL-XYOKQWHBSA-N
MW333.39 g/mol
LogP3.73
Rot. Bonds5

About (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide

(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide (PubChem CID 36842749) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
PubChem CID36842749
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NC2CC2)o1
InChIInChI=1S/C20H19N3O2/c1-14-7-11-18(25-14)20-15(8-12-19(24)21-16-9-10-16)13-23(22-20)17-5-3-2-4-6-17/h2-8,11-13,16H,9-10H2,1H3,(H,21,24)/b12-8+
InChIKeyZXXHYKDMBXNTIL-XYOKQWHBSA-N
XLogP3.73
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.73
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

N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 103599366
(2-oxooxolan-3-yl) (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 75364988
3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbaldehyde
CID 818637
3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-(1,4-thiazepan-4-yl)prop-2-en-1-one
CID 71886308
[1-oxo-1-(propylamino)propan-2-yl] (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 55417018
(E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
CID 86904126
3-(5-methylfuran-2-yl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126775523
(NE)-N-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 5337245
(E)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 55966717
[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] (E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
CID 6115356
ethyl 4-[[2-[(E)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoyl]oxyacetyl]amino]butanoate
CID 30551472
3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
CID 71882633

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide (CID 36842749) is (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide is Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)NC2CC2)o1.
What is the InChIKey of (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?
The InChIKey is ZXXHYKDMBXNTIL-XYOKQWHBSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-14-7-11-18(25-14)20-15(8-12-19(24)21-16-9-10-16)13-23(22-20)17-5-3-2-4-6-17/h2-8,11-13,16H,9-10H2,1H3,(H,21,24)/b12-8+.
What are the key properties of (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide?
(E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 36842749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).