N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

C24H29N3O3 — CID 46577690

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2CC)cc1OCC
InChIInChI=1S/C24H29N3O3/c1-4-21-20(17-26-27(21)19-10-8-7-9-11-19)24(28)25-15-14-18-12-13-22(29-5-2)23(16-18)30-6-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,25,28)
InChIKeyCJBRZUXJETXCST-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.20
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 46577690) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
PubChem CID46577690
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2CC)cc1OCC
InChIInChI=1S/C24H29N3O3/c1-4-21-20(17-26-27(21)19-10-8-7-9-11-19)24(28)25-15-14-18-12-13-22(29-5-2)23(16-18)30-6-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,25,28)
InChIKeyCJBRZUXJETXCST-UHFFFAOYSA-N
XLogP4.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9372355
5-ethyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 46577228
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide
CID 119943708
1-(3-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-ethylpyrazole-4-carboxamide
CID 46589359
5-ethyl-N-(2-methylsulfonylethyl)-1-phenylpyrazole-4-carboxamide
CID 60545454
N-[2-(3-methoxyphenyl)ethyl]-1-phenyl-5-propylpyrazole-4-carboxamide
CID 91554312
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
5-ethyl-N-(2-hydroxy-3-phenylpropyl)-1-phenylpyrazole-4-carboxamide
CID 111102770
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)benzamide
CID 1312332
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569850
N-[3-(benzimidazol-1-yl)propyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569976

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide (CID 46577690) is N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is CCOc1ccc(CCNC(=O)c2cnn(-c3ccccc3)c2CC)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is CJBRZUXJETXCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-4-21-20(17-26-27(21)19-10-8-7-9-11-19)24(28)25-15-14-18-12-13-22(29-5-2)23(16-18)30-6-3/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46577690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).