3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide

C22H25N3O5 — CID 46948382

IUPAC3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)[nH]n2)c(C)c1
InChIInChI=1S/C22H25N3O5/c1-6-30-15-7-8-16(13(2)9-15)17-12-18(25-24-17)22(26)23-14-10-19(27-3)21(29-5)20(11-14)28-4/h7-12H,6H2,1-5H3,(H,23,26)(H,24,25)
InChIKeySRUOUWLKHGQUQW-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.06
Rot. Bonds8

About 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide

3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46948382) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46948382
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)[nH]n2)c(C)c1
InChIInChI=1S/C22H25N3O5/c1-6-30-15-7-8-16(13(2)9-15)17-12-18(25-24-17)22(26)23-14-10-19(27-3)21(29-5)20(11-14)28-4/h7-12H,6H2,1-5H3,(H,23,26)(H,24,25)
InChIKeySRUOUWLKHGQUQW-UHFFFAOYSA-N
XLogP4.06
TPSA94.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46948688
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920320
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
4-ethoxy-3-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26698623
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856817
N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920339
3-(2,5-dimethoxyphenyl)-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6273602

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46948382) is 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)[nH]n2)c(C)c1.
What is the InChIKey of 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SRUOUWLKHGQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-6-30-15-7-8-16(13(2)9-15)17-12-18(25-24-17)22(26)23-14-10-19(27-3)21(29-5)20(11-14)28-4/h7-12H,6H2,1-5H3,(H,23,26)(H,24,25).
What are the key properties of 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46948382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).