N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide

C18H25N3O4 — CID 16925400

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H25N3O4/c1-5-21-12-14(18(20-21)25-6-2)17(22)19-10-9-13-7-8-15(23-3)16(11-13)24-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyWKUQKRBMBCPMNG-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.29
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide (PubChem CID 16925400) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide
PubChem CID16925400
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide
SMILESCCOc1nn(CC)cc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C18H25N3O4/c1-5-21-12-14(18(20-21)25-6-2)17(22)19-10-9-13-7-8-15(23-3)16(11-13)24-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyWKUQKRBMBCPMNG-UHFFFAOYSA-N
XLogP2.29
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide (CID 16925400) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide is CCOc1nn(CC)cc1C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide?
The InChIKey is WKUQKRBMBCPMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-5-21-12-14(18(20-21)25-6-2)17(22)19-10-9-13-7-8-15(23-3)16(11-13)24-4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethoxy-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 16925400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).