3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide

C19H16ClN3O2 — CID 67542505

IUPAC3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide
SMILESCC(=COc1ccn(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c1-14(19(24)21-16-5-3-2-4-6-16)13-25-18-11-12-23(22-18)17-9-7-15(20)8-10-17/h2-13H,1H3,(H,21,24)
InChIKeyYHXOHKBNTZYWBX-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.45
Rot. Bonds5

About 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide

3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide (PubChem CID 67542505) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide
PubChem CID67542505
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide
SMILESCC(=COc1ccn(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H16ClN3O2/c1-14(19(24)21-16-5-3-2-4-6-16)13-25-18-11-12-23(22-18)17-9-7-15(20)8-10-17/h2-13H,1H3,(H,21,24)
InChIKeyYHXOHKBNTZYWBX-UHFFFAOYSA-N
XLogP4.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
(E)-2-methyl-3-(4-phenoxyphenoxy)-N-phenylprop-2-enamide
CID 59498038
[(Z)-4-[1-(4-chlorophenyl)pyrazol-3-yl]oxybut-2-en-2-yl] N-methoxycarbamate
CID 140658305
(E)-N-(4-fluorophenyl)-2-methyl-3-phenoxyprop-2-enamide
CID 59498087
methyl 2-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-3-(fluoromethoxy)prop-2-enoate
CID 72971600
2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
CID 121269425
1-(4-chlorophenyl)-3-[(E)-3-(methylamino)prop-2-enoyl]pyridazin-4-one
CID 58072484
1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-1-methoxy-3-methylurea
CID 142124179
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
1-(4-chlorophenyl)-N-(4-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7709813
(1-phenylpyrazol-3-yl) 2,4-dichlorobenzoate
CID 139593811
methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate
CID 6422843

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide?
The IUPAC name of 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide (CID 67542505) is 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide is CC(=COc1ccn(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccccc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide?
The InChIKey is YHXOHKBNTZYWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-14(19(24)21-16-5-3-2-4-6-16)13-25-18-11-12-23(22-18)17-9-7-15(20)8-10-17/h2-13H,1H3,(H,21,24).
What are the key properties of 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide?
3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide has a molecular weight of 353.81 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)pyrazol-3-yl]oxy-2-methyl-N-phenylprop-2-enamide is sourced from PubChem (CID 67542505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).