5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide

C20H22N6O2 — CID 167899031

IUPAC5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cnn(C3CCC(=O)NC3)c2)c1Cc1ccccc1
InChIInChI=1S/C20H22N6O2/c1-25-18(9-14-5-3-2-4-6-14)17(12-22-25)20(28)24-15-10-23-26(13-15)16-7-8-19(27)21-11-16/h2-6,10,12-13,16H,7-9,11H2,1H3,(H,21,27)(H,24,28)
InChIKeyDXYDMVBSWSQDJL-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.91
Rot. Bonds5

About 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide

5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide (PubChem CID 167899031) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide
PubChem CID167899031
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cnn(C3CCC(=O)NC3)c2)c1Cc1ccccc1
InChIInChI=1S/C20H22N6O2/c1-25-18(9-14-5-3-2-4-6-14)17(12-22-25)20(28)24-15-10-23-26(13-15)16-7-8-19(27)21-11-16/h2-6,10,12-13,16H,7-9,11H2,1H3,(H,21,27)(H,24,28)
InChIKeyDXYDMVBSWSQDJL-UHFFFAOYSA-N
XLogP1.91
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide (CID 167899031) is 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cnn(C3CCC(=O)NC3)c2)c1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide?
The InChIKey is DXYDMVBSWSQDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-18(9-14-5-3-2-4-6-14)17(12-22-25)20(28)24-15-10-23-26(13-15)16-7-8-19(27)21-11-16/h2-6,10,12-13,16H,7-9,11H2,1H3,(H,21,27)(H,24,28).
What are the key properties of 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide?
5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-methyl-N-[1-(6-oxopiperidin-3-yl)pyrazol-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 167899031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).