3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide

C22H24N4O4 — CID 3733700

IUPAC3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)n(C)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-4-29-17-10-6-15(7-11-17)23-21(27)19-14-20(26(3)25-19)22(28)24-16-8-12-18(13-9-16)30-5-2/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyPFUCPPSGUMBGAF-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.72
Rot. Bonds8

About 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 3733700) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID3733700
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)n(C)n2)cc1
InChIInChI=1S/C22H24N4O4/c1-4-29-17-10-6-15(7-11-17)23-21(27)19-14-20(26(3)25-19)22(28)24-16-8-12-18(13-9-16)30-5-2/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyPFUCPPSGUMBGAF-UHFFFAOYSA-N
XLogP3.72
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23635500
N,N'-bis(3-methoxyphenyl)-1-methyl-1H-pyrazole-3,5-dicarboxamide
CID 659446
Cfm-1571
CID 9844347
5-(4-Methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974041
(7R)-5-(4-fluorophenyl)-7-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 118575176
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 831746
2-(4-ethoxyphenyl)-3,4-dimethyl-6-[2-(1-piperidinyl)ethyl]-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
CID 990460
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 2139744
4-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}phenyl 1-methyl-1H-pyrazole-5-carboxylate
CID 3242528
1-(4-methoxyphenyl)-3-N-(2-methylpropyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
CID 11762691
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943482
2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)-N-(2-ethoxybenzyl)butanamide
CID 16022806

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide (CID 3733700) is 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide is CCOc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)n(C)n2)cc1.
What is the InChIKey of 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is PFUCPPSGUMBGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-29-17-10-6-15(7-11-17)23-21(27)19-14-20(26(3)25-19)22(28)24-16-8-12-18(13-9-16)30-5-2/h6-14H,4-5H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 408.46 g/mol, XLogP of 3.72, 8 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(4-ethoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 3733700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).