1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide

C17H21N3O2 — CID 131895828

IUPAC1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)c1cn(CC)nc1C
InChIInChI=1S/C17H21N3O2/c1-5-20-10-14(13(4)19-20)17(21)18-15-8-6-7-9-16(15)22-11-12(2)3/h6-10H,2,5,11H2,1,3-4H3,(H,18,21)
InChIKeyBLBRAISVEHVNGB-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.42
Rot. Bonds6

About 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide

1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 131895828) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide
PubChem CID131895828
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)c1cn(CC)nc1C
InChIInChI=1S/C17H21N3O2/c1-5-20-10-14(13(4)19-20)17(21)18-15-8-6-7-9-16(15)22-11-12(2)3/h6-10H,2,5,11H2,1,3-4H3,(H,18,21)
InChIKeyBLBRAISVEHVNGB-UHFFFAOYSA-N
XLogP3.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
2-fluoro-N-[2-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17113262
N-[2-(difluoromethoxy)-4-fluorophenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474471
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474320
N-(2-methoxyphenyl)-2-[2-(2-methylprop-2-enoxy)anilino]acetamide
CID 54826050
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474225
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide (CID 131895828) is 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide is C=C(C)COc1ccccc1NC(=O)c1cn(CC)nc1C.
What is the InChIKey of 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is BLBRAISVEHVNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-5-20-10-14(13(4)19-20)17(21)18-15-8-6-7-9-16(15)22-11-12(2)3/h6-10H,2,5,11H2,1,3-4H3,(H,18,21).
What are the key properties of 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide?
1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[2-(2-methylprop-2-enoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 131895828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).