3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide

C20H20N4O4 — CID 1098161

IUPAC3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2OC)n(C)n1
InChIInChI=1S/C20H20N4O4/c1-24-16(20(26)22-14-9-5-7-11-18(14)28-3)12-15(23-24)19(25)21-13-8-4-6-10-17(13)27-2/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyZZEBCBRFFVTDTF-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.94
Rot. Bonds6

About 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 1098161) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID1098161
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2OC)n(C)n1
InChIInChI=1S/C20H20N4O4/c1-24-16(20(26)22-14-9-5-7-11-18(14)28-3)12-15(23-24)19(25)21-13-8-4-6-10-17(13)27-2/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyZZEBCBRFFVTDTF-UHFFFAOYSA-N
XLogP2.94
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide (CID 1098161) is 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide is COc1ccccc1NC(=O)c1cc(C(=O)Nc2ccccc2OC)n(C)n1.
What is the InChIKey of 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is ZZEBCBRFFVTDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-24-16(20(26)22-14-9-5-7-11-18(14)28-3)12-15(23-24)19(25)21-13-8-4-6-10-17(13)27-2/h4-12H,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 1098161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).