3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C16H21N3O3 — CID 78772438

IUPAC3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C16H21N3O3/c1-12(2)19-15(8-10-17-19)18-16(20)9-11-22-14-7-5-4-6-13(14)21-3/h4-8,10,12H,9,11H2,1-3H3,(H,18,20)
InChIKeyCBQJFOHPFSHPGR-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.88
Rot. Bonds7

About 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 78772438) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID78772438
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C16H21N3O3/c1-12(2)19-15(8-10-17-19)18-16(20)9-11-22-14-7-5-4-6-13(14)21-3/h4-8,10,12H,9,11H2,1-3H3,(H,18,20)
InChIKeyCBQJFOHPFSHPGR-UHFFFAOYSA-N
XLogP2.88
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 39911481
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
2-(2-methoxyphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026099
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022419
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083203
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 51925651
4-amino-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 71668599
2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419
2-(4-cyano-2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18083217
3-(2-methoxyphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 78768134
N-[3-oxo-3-[(2-propan-2-ylpyrazol-3-yl)amino]propyl]benzamide
CID 30181874

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 78772438) is 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is COc1ccccc1OCCC(=O)Nc1ccnn1C(C)C.
What is the InChIKey of 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is CBQJFOHPFSHPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(2)19-15(8-10-17-19)18-16(20)9-11-22-14-7-5-4-6-13(14)21-3/h4-8,10,12H,9,11H2,1-3H3,(H,18,20).
What are the key properties of 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 303.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 78772438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).