N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide

C14H17N3O2 — CID 19346026

IUPACN-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C14H17N3O2/c1-4-19-12-7-5-11(6-8-12)14(18)15-13-9-17(3)16-10(13)2/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyCOIVORZXHWXDGG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.38
Rot. Bonds4

About N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide

N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide (PubChem CID 19346026) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
PubChem CID19346026
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1
InChIInChI=1S/C14H17N3O2/c1-4-19-12-7-5-11(6-8-12)14(18)15-13-9-17(3)16-10(13)2/h5-9H,4H2,1-3H3,(H,15,18)
InChIKeyCOIVORZXHWXDGG-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-(1,3-dimethylpyrazol-4-yl)-3,4-diethoxybenzamide
CID 19346004
methyl 4-[(1,3-dimethylpyrazol-4-yl)carbamoyl]benzoate
CID 19346192
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
N-(1,3-dimethylpyrazol-4-yl)-4-(propylamino)benzamide
CID 102807314
1-(1,3-dimethylpyrazol-4-yl)-3-(4-ethoxyphenyl)thiourea
CID 4776356
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 104592742
3-amino-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzamide
CID 102803184
3-chloro-N-(1,3-dimethylpyrazol-4-yl)-4-iodobenzamide
CID 113251749
4-ethoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535309
N-(1,3-dimethylpyrazol-4-yl)-6-pyridin-4-ylpyridine-3-carboxamide
CID 166318066
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 166383278

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide (CID 19346026) is N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cn(C)nc2C)cc1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide?
The InChIKey is COIVORZXHWXDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-19-12-7-5-11(6-8-12)14(18)15-13-9-17(3)16-10(13)2/h5-9H,4H2,1-3H3,(H,15,18).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide?
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide 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-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide is sourced from PubChem (CID 19346026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).