3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide

C23H25N3O4 — CID 56559378

IUPAC3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCOC2)c1
InChIInChI=1S/C23H25N3O4/c1-28-18-10-11-21(29-2)19(13-18)22-20(23(27)24-16-7-6-12-30-15-16)14-26(25-22)17-8-4-3-5-9-17/h3-5,8-11,13-14,16H,6-7,12,15H2,1-2H3,(H,24,27)
InChIKeyBMNDQYJRDBBJRH-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.47
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide

3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 56559378) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID56559378
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCOC2)c1
InChIInChI=1S/C23H25N3O4/c1-28-18-10-11-21(29-2)19(13-18)22-20(23(27)24-16-7-6-12-30-15-16)14-26(25-22)17-8-4-3-5-9-17/h3-5,8-11,13-14,16H,6-7,12,15H2,1-2H3,(H,24,27)
InChIKeyBMNDQYJRDBBJRH-UHFFFAOYSA-N
XLogP3.47
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684989
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylphenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 52706502
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 31361863
[(3S)-2-oxooxolan-3-yl] 3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate
CID 7684985
3-(2,5-dimethoxyphenyl)-N-[2-(3-fluorophenoxy)ethyl]-1-phenylpyrazole-4-carboxamide
CID 55657345
3-(2,5-dimethoxyphenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 86906413
3-(2,5-dimethoxyphenyl)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-1-phenylpyrazole-4-carboxamide
CID 41293272
[3-(2,5-dimethoxyphenyl)-1-phenylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402162
N-(1H-benzimidazol-2-yl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 27649329
N-(4-carbamoyl-3-chlorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55611029
N-(5-acetamido-2-fluorophenyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55551214
3-(2,4-dimethoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)butyl]-1-phenylpyrazole-4-carboxamide
CID 55724250

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide (CID 56559378) is 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide is COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)NC2CCCOC2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is BMNDQYJRDBBJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-28-18-10-11-21(29-2)19(13-18)22-20(23(27)24-16-7-6-12-30-15-16)14-26(25-22)17-8-4-3-5-9-17/h3-5,8-11,13-14,16H,6-7,12,15H2,1-2H3,(H,24,27).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide?
3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(oxan-3-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 56559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).