N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

C14H17N3O2 — CID 42352848

IUPACN-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cn(C)nc1C
InChIInChI=1S/C14H17N3O2/c1-4-19-13-8-6-5-7-12(13)15-14(18)11-9-17(3)16-10(11)2/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyZTEVMVIILBXZIG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.38
Rot. Bonds4

About N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 42352848) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID42352848
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cn(C)nc1C
InChIInChI=1S/C14H17N3O2/c1-4-19-13-8-6-5-7-12(13)15-14(18)11-9-17(3)16-10(11)2/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyZTEVMVIILBXZIG-UHFFFAOYSA-N
XLogP2.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
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CID 131895828
N-(2-ethoxyphenyl)-2-iodobenzamide
CID 996130
N-(2-ethoxyphenyl)-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 110704676
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19288564
N-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
CID 155351867
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
N-(2-ethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 15943045
3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide
CID 102803184
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
N-(2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380223

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 42352848) is N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide is CCOc1ccccc1NC(=O)c1cn(C)nc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ZTEVMVIILBXZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-19-13-8-6-5-7-12(13)15-14(18)11-9-17(3)16-10(11)2/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 42352848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).