3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide

C28H29N3O5 — CID 55358256

IUPAC3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C28H29N3O5/c1-30(17-20-11-13-22(33-2)16-25(20)35-4)28(32)23-18-31(21-9-7-6-8-10-21)29-27(23)19-12-14-24(34-3)26(15-19)36-5/h6-16,18H,17H2,1-5H3
InChIKeyDXAIMLOWRBUMMK-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.85
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 55358256) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID55358256
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C28H29N3O5/c1-30(17-20-11-13-22(33-2)16-25(20)35-4)28(32)23-18-31(21-9-7-6-8-10-21)29-27(23)19-12-14-24(34-3)26(15-19)36-5/h6-16,18H,17H2,1-5H3
InChIKeyDXAIMLOWRBUMMK-UHFFFAOYSA-N
XLogP4.85
TPSA75.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 18114147
4-(3,4-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 24595323
3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55488628
3-(2,5-dimethoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 17428753
3-(2,5-dimethoxyphenyl)-N-methyl-1-phenyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 38560790
N-methyl-1-phenyl-3-pyridin-3-yl-N-[(2,3,4-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 17392908
N-(cyclopropylmethyl)-3-(3,4-dimethoxyphenyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 86939949
3-(3,4-dimethoxyphenyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 26454642
N-[(4-cyanophenyl)methyl]-3-(2,4-dimethoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 39858570
3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
N-(2-amino-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 9296494
N-butyl-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 18109631

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide (CID 55358256) is 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DXAIMLOWRBUMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-30(17-20-11-13-22(33-2)16-25(20)35-4)28(32)23-18-31(21-9-7-6-8-10-21)29-27(23)19-12-14-24(34-3)26(15-19)36-5/h6-16,18H,17H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 487.56 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55358256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).