3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide

C24H26N6O3 — CID 86906413

IUPAC3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC
InChIInChI=1S/C24H26N6O3/c1-4-29-16-26-27-22(29)12-13-25-24(31)20-15-30(17-8-6-5-7-9-17)28-23(20)19-14-18(32-2)10-11-21(19)33-3/h5-11,14-16H,4,12-13H2,1-3H3,(H,25,31)
InChIKeyKTBSLSKWQUWVEG-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.14
Rot. Bonds9

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

3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 86906413) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID86906413
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCCn1cnnc1CCNC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC
InChIInChI=1S/C24H26N6O3/c1-4-29-16-26-27-22(29)12-13-25-24(31)20-15-30(17-8-6-5-7-9-17)28-23(20)19-14-18(32-2)10-11-21(19)33-3/h5-11,14-16H,4,12-13H2,1-3H3,(H,25,31)
InChIKeyKTBSLSKWQUWVEG-UHFFFAOYSA-N
XLogP3.14
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
3-(2,5-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55657345
3-(2,4-dimethoxyphenyl)-N-[2-(ethylamino)ethyl]-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119507189
3-(2,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 29207262
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-4-carboxamide
CID 29202756
3-(2,4-dimethoxyphenyl)-N-[2-(3-methoxyphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 46399913
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 30101728
3-(2,5-dimethoxyphenyl)-1-phenyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55797907
3-(2,4-dimethoxyphenyl)-N-(2-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 78803663
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-(3-hydroxypropyl)-3-(2-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78796345
N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55611029

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 86906413) is 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide is CCn1cnnc1CCNC(=O)c1cn(-c2ccccc2)nc1-c1cc(OC)ccc1OC.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is KTBSLSKWQUWVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-4-29-16-26-27-22(29)12-13-25-24(31)20-15-30(17-8-6-5-7-9-17)28-23(20)19-14-18(32-2)10-11-21(19)33-3/h5-11,14-16H,4,12-13H2,1-3H3,(H,25,31).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide?
3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 86906413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).