N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide

C22H24N4O3 — CID 166197683

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide
SMILESCCc1nn(C)cc1NC(=O)C(=O)NC(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H24N4O3/c1-4-19-20(14-26(3)25-19)24-22(28)21(27)23-15(2)16-10-12-18(13-11-16)29-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyPVGUUBFQLKFUOD-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.59
Rot. Bonds6

About N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide

N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide (PubChem CID 166197683) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide
PubChem CID166197683
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide
SMILESCCc1nn(C)cc1NC(=O)C(=O)NC(C)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H24N4O3/c1-4-19-20(14-26(3)25-19)24-22(28)21(27)23-15(2)16-10-12-18(13-11-16)29-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyPVGUUBFQLKFUOD-UHFFFAOYSA-N
XLogP3.59
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-nitro-N-[1-(4-phenoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 75395693
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
3-(methoxymethyl)-1-methyl-N-[1-[4-(1-phenylethoxy)phenyl]ethyl]pyrazole-4-carboxamide
CID 166244875
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
CID 108510015
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
CID 56822670
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)carbamoylamino]butanedioic acid
CID 107464180
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
1-(3-ethyl-1-methylpyrazol-4-yl)-3-[(S)-[(2S)-oxolan-2-yl]-phenylmethyl]urea
CID 125136365

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide (CID 166197683) is N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide is CCc1nn(C)cc1NC(=O)C(=O)NC(C)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide?
The InChIKey is PVGUUBFQLKFUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-19-20(14-26(3)25-19)24-22(28)21(27)23-15(2)16-10-12-18(13-11-16)29-17-8-6-5-7-9-17/h5-15H,4H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide has a molecular weight of 392.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-N'-[1-(4-phenoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 166197683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).