3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide

C18H24N4O — CID 108813000

IUPAC3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2cc(-c3ccccc3)n(C)n2)C1
InChIInChI=1S/C18H24N4O/c1-13-9-14(2)12-22(11-13)18(23)19-17-10-16(21(3)20-17)15-7-5-4-6-8-15/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,19,20,23)
InChIKeyUMUMHTZDJXCAEI-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.60
Rot. Bonds2

About 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide

3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 108813000) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID108813000
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)Nc2cc(-c3ccccc3)n(C)n2)C1
InChIInChI=1S/C18H24N4O/c1-13-9-14(2)12-22(11-13)18(23)19-17-10-16(21(3)20-17)15-7-5-4-6-8-15/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,19,20,23)
InChIKeyUMUMHTZDJXCAEI-UHFFFAOYSA-N
XLogP3.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide (CID 108813000) is 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide is CC1CC(C)CN(C(=O)Nc2cc(-c3ccccc3)n(C)n2)C1.
What is the InChIKey of 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is UMUMHTZDJXCAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-9-14(2)12-22(11-13)18(23)19-17-10-16(21(3)20-17)15-7-5-4-6-8-15/h4-8,10,13-14H,9,11-12H2,1-3H3,(H,19,20,23).
What are the key properties of 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide?
3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-methyl-5-phenylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 108813000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).