2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide

C18H25N3O4 — CID 71728692

IUPAC2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C18H25N3O4/c1-18(2,17(22)19-8-9-23-3)21-12-14(11-20-21)13-6-7-15(24-4)16(10-13)25-5/h6-7,10-12H,8-9H2,1-5H3,(H,19,22)
InChIKeyJBNQKSHYFVIEPT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.07
Rot. Bonds8

About 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide

2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 71728692) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID71728692
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C18H25N3O4/c1-18(2,17(22)19-8-9-23-3)21-12-14(11-20-21)13-6-7-15(24-4)16(10-13)25-5/h6-7,10-12H,8-9H2,1-5H3,(H,19,22)
InChIKeyJBNQKSHYFVIEPT-UHFFFAOYSA-N
XLogP2.07
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-[(2-methoxyphenyl)methyl]-2-methylpropanamide
CID 71448491
3,4-dimethoxy-N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]benzamide
CID 71448798
2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 11613156
6-(1-tert-butylpyrazol-4-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 4116151
5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 163343919
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
N-[1-[1-(2-methoxyethylamino)-2-methyl-1-oxopropan-2-yl]pyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 71448790
2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-[3-(dimethylamino)propyl]-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-hydroxyethyl)-2-methylpropanamide;2-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 158347604
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)butanamide
CID 2031380
N-(2-aminoethyl)-2-(3,4-dimethoxyphenyl)-2-methylpropanamide;hydrochloride
CID 119382877
N-(2-methoxyethyl)-1-methylpyrazole-4-carboxamide
CID 19474676

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide (CID 71728692) is 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide is COCCNC(=O)C(C)(C)n1cc(-c2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is JBNQKSHYFVIEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(2,17(22)19-8-9-23-3)21-12-14(11-20-21)13-6-7-15(24-4)16(10-13)25-5/h6-7,10-12H,8-9H2,1-5H3,(H,19,22).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide?
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 71728692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).