4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide

C21H30N4O — CID 11956142

IUPAC4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1
InChIInChI=1S/C21H30N4O/c1-3-4-9-16-25-20(18-12-7-5-8-13-18)17(2)19(22-25)21(26)23-24-14-10-6-11-15-24/h5,7-8,12-13H,3-4,6,9-11,14-16H2,1-2H3,(H,23,26)
InChIKeyDWBFQADAHYGPMY-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.18
Rot. Bonds7

About 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide

4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 11956142) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID11956142
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1
InChIInChI=1S/C21H30N4O/c1-3-4-9-16-25-20(18-12-7-5-8-13-18)17(2)19(22-25)21(26)23-24-14-10-6-11-15-24/h5,7-8,12-13H,3-4,6,9-11,14-16H2,1-2H3,(H,23,26)
InChIKeyDWBFQADAHYGPMY-UHFFFAOYSA-N
XLogP4.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide (CID 11956142) is 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide is CCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1.
What is the InChIKey of 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is DWBFQADAHYGPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-4-9-16-25-20(18-12-7-5-8-13-18)17(2)19(22-25)21(26)23-24-14-10-6-11-15-24/h5,7-8,12-13H,3-4,6,9-11,14-16H2,1-2H3,(H,23,26).
What are the key properties of 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide?
4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-pentyl-5-phenyl-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11956142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).