N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide

C17H22N4O — CID 2816321

IUPACN-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-14-12-16(21(19-14)15-8-4-2-5-9-15)18-17(22)13-20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,18,22)
InChIKeyUVXHNZBOHOFSAW-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.61
Rot. Bonds4

About N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide

N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide (PubChem CID 2816321) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide
PubChem CID2816321
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCCCC2)n(-c2ccccc2)n1
InChIInChI=1S/C17H22N4O/c1-14-12-16(21(19-14)15-8-4-2-5-9-15)18-17(22)13-20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,18,22)
InChIKeyUVXHNZBOHOFSAW-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide (CID 2816321) is N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide is Cc1cc(NC(=O)CN2CCCCC2)n(-c2ccccc2)n1.
What is the InChIKey of N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide?
The InChIKey is UVXHNZBOHOFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-14-12-16(21(19-14)15-8-4-2-5-9-15)18-17(22)13-20-10-6-3-7-11-20/h2,4-5,8-9,12H,3,6-7,10-11,13H2,1H3,(H,18,22).
What are the key properties of N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide?
N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide has a molecular weight of 298.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylpyrazol-3-yl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 2816321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).