N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide

C15H19N3O3 — CID 42685782

IUPACN-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
SMILESCCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(C)=O
InChIInChI=1S/C15H19N3O3/c1-5-12-15(16-9(2)19)14(18-17-12)11-8-10(20-3)6-7-13(11)21-4/h6-8H,5H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyVRJCGKVFXTVMIF-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.61
Rot. Bonds5

About N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide

N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide (PubChem CID 42685782) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
PubChem CID42685782
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
SMILESCCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(C)=O
InChIInChI=1S/C15H19N3O3/c1-5-12-15(16-9(2)19)14(18-17-12)11-8-10(20-3)6-7-13(11)21-4/h6-8H,5H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyVRJCGKVFXTVMIF-UHFFFAOYSA-N
XLogP2.61
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42685604
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686893
N-[5-cyclopropyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42686906
3-(2,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-pyrazole
CID 71602506
5-(2,5-dimethoxyphenyl)-3-phenyl-1H-pyrazole
CID 71602565
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide
CID 42686789
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]propanamide
CID 42686882
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42685612
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetamide
CID 42685652
N-[3-(2,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-2,2-dimethylpropanamide
CID 42685753

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide?
The IUPAC name of N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide (CID 42685782) is N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide?
The canonical SMILES for N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide is CCc1[nH]nc(-c2cc(OC)ccc2OC)c1NC(C)=O.
What is the InChIKey of N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide?
The InChIKey is VRJCGKVFXTVMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-5-12-15(16-9(2)19)14(18-17-12)11-8-10(20-3)6-7-13(11)21-4/h6-8H,5H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide?
N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]acetamide is sourced from PubChem (CID 42685782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).