5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide

C18H25N3O4 — CID 78882069

IUPAC5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2ccc(OCCOC)c(OC)c2)n[nH]1
InChIInChI=1S/C18H25N3O4/c1-5-14-11-15(21-20-14)18(22)19-12(2)13-6-7-16(17(10-13)24-4)25-9-8-23-3/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyVYHWZIXQLUUPFT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.50
Rot. Bonds9

About 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide

5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 78882069) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID78882069
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2ccc(OCCOC)c(OC)c2)n[nH]1
InChIInChI=1S/C18H25N3O4/c1-5-14-11-15(21-20-14)18(22)19-12(2)13-6-7-16(17(10-13)24-4)25-9-8-23-3/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyVYHWZIXQLUUPFT-UHFFFAOYSA-N
XLogP2.50
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508898
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
CID 48577876
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
5-bromo-2-chloro-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 55748470
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)triazole-4-carboxamide
CID 95183306
methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate
CID 55881567

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide (CID 78882069) is 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)NC(C)c2ccc(OCCOC)c(OC)c2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VYHWZIXQLUUPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-5-14-11-15(21-20-14)18(22)19-12(2)13-6-7-16(17(10-13)24-4)25-9-8-23-3/h6-7,10-12H,5,8-9H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78882069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).