N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide

C14H17N3O3 — CID 115594830

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C14H17N3O3/c1-9-10(2)16-17-14(9)15-13(18)8-20-12-7-5-4-6-11(12)19-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyBTHCCLUJRYXPQO-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.05
Rot. Bonds5

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide (PubChem CID 115594830) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
PubChem CID115594830
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C14H17N3O3/c1-9-10(2)16-17-14(9)15-13(18)8-20-12-7-5-4-6-11(12)19-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyBTHCCLUJRYXPQO-UHFFFAOYSA-N
XLogP2.05
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[4-[[2-(2-methoxyphenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 1015487
N-(3-hydroxy-2-pyridinyl)-2-(2-methoxyphenoxy)acetamide
CID 18109430
2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104616438
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
CID 110732585
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
2-(2,3-dimethylphenoxy)-N-(5-methyl-4-phenyl-1H-pyrazol-3-yl)acetamide
CID 53198509
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 115610032
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-pyridin-2-ylacetamide
CID 104620045
N-(2-acetamidophenyl)-2-(2-methoxyphenoxy)acetamide
CID 3601272
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide (CID 115594830) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide?
The InChIKey is BTHCCLUJRYXPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9-10(2)16-17-14(9)15-13(18)8-20-12-7-5-4-6-11(12)19-3/h4-7H,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide has a molecular weight of 275.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 115594830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).