4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide

C22H24N4O — CID 71583522

IUPAC4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-20(22(27)24-25-15-9-4-10-16-25)23-26(19-13-7-3-8-14-19)21(17)18-11-5-2-6-12-18/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,24,27)
InChIKeyATDCKTKMKBPZFF-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.98
Rot. Bonds4

About 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide

4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 71583522) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID71583522
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H24N4O/c1-17-20(22(27)24-25-15-9-4-10-16-25)23-26(19-13-7-3-8-14-19)21(17)18-11-5-2-6-12-18/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,24,27)
InChIKeyATDCKTKMKBPZFF-UHFFFAOYSA-N
XLogP3.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 71583522) is 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide is Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is ATDCKTKMKBPZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-20(22(27)24-25-15-9-4-10-16-25)23-26(19-13-7-3-8-14-19)21(17)18-11-5-2-6-12-18/h2-3,5-8,11-14H,4,9-10,15-16H2,1H3,(H,24,27).
What are the key properties of 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,5-diphenyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 71583522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).