3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide

C20H20N4O2 — CID 667945

IUPAC3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H20N4O2/c1-24-18(20(26)22-14-16-10-6-3-7-11-16)12-17(23-24)19(25)21-13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,21,25)(H,22,26)
InChIKeyZVOCBGUFEIWTRL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.28
Rot. Bonds6

About 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 667945) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide
PubChem CID667945
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1
InChIInChI=1S/C20H20N4O2/c1-24-18(20(26)22-14-16-10-6-3-7-11-16)12-17(23-24)19(25)21-13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,21,25)(H,22,26)
InChIKeyZVOCBGUFEIWTRL-UHFFFAOYSA-N
XLogP2.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Adb-butinaca
CID 155907792
AB-Chminaca
CID 44206133
AB-Pinaca
CID 71301472
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
5-Fluoro-AB-pinaca, (A+-)-
CID 102144602
Adb-fubinaca
CID 58124399
App-butinaca
CID 154735174
N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86280478
Adb-chminaca
CID 68894304
1-benzoyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 716930
5-Fluoro-AB-PINACA
CID 91936927

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide (CID 667945) is 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide is Cn1nc(C(=O)NCc2ccccc2)cc1C(=O)NCc1ccccc1.
What is the InChIKey of 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is ZVOCBGUFEIWTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24-18(20(26)22-14-16-10-6-3-7-11-16)12-17(23-24)19(25)21-13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-dibenzyl-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 667945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).