4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide

C16H21N3O3 — CID 51099258

IUPAC4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
SMILESCCOCCCC(=O)Nc1cc(-c2ccccc2OC)[nH]n1
InChIInChI=1S/C16H21N3O3/c1-3-22-10-6-9-16(20)17-15-11-13(18-19-15)12-7-4-5-8-14(12)21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyADDOXMGNYXIEAJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.84
Rot. Bonds8

About 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide

4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide (PubChem CID 51099258) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
PubChem CID51099258
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
SMILESCCOCCCC(=O)Nc1cc(-c2ccccc2OC)[nH]n1
InChIInChI=1S/C16H21N3O3/c1-3-22-10-6-9-16(20)17-15-11-13(18-19-15)12-7-4-5-8-14(12)21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyADDOXMGNYXIEAJ-UHFFFAOYSA-N
XLogP2.84
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
2-(4-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 51098942
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 51128562
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
methyl N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 97211863
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
4-ethoxy-N-phenylbutanamide
CID 112728021
4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552510
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56552352
N-[5-[2-(difluoromethoxy)phenyl]-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylbutanamide
CID 59173991
4-pyrrolidin-1-yl-N-[5-[2-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]butanamide
CID 59173970

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide?
The IUPAC name of 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide (CID 51099258) is 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide?
The canonical SMILES for 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide is CCOCCCC(=O)Nc1cc(-c2ccccc2OC)[nH]n1.
What is the InChIKey of 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide?
The InChIKey is ADDOXMGNYXIEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-3-22-10-6-9-16(20)17-15-11-13(18-19-15)12-7-4-5-8-14(12)21-2/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide?
4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide has a molecular weight of 303.36 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide is sourced from PubChem (CID 51099258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).