N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide

C19H26N4O2 — CID 99969735

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCc1c(NC(=O)CC2CCN(C)CC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O2/c1-14-18(20-17(24)13-15-9-11-21(2)12-10-15)19(25)23(22(14)3)16-7-5-4-6-8-16/h4-8,15H,9-13H2,1-3H3,(H,20,24)
InChIKeyGZYADFNQOUVFDG-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99969735) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
PubChem CID99969735
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide
SMILESCc1c(NC(=O)CC2CCN(C)CC2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C19H26N4O2/c1-14-18(20-17(24)13-15-9-11-21(2)12-10-15)19(25)23(22(14)3)16-7-5-4-6-8-16/h4-8,15H,9-13H2,1-3H3,(H,20,24)
InChIKeyGZYADFNQOUVFDG-UHFFFAOYSA-N
XLogP2.15
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 22194062
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[1-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]cyclohexyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide (CID 99969735) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide is Cc1c(NC(=O)CC2CCN(C)CC2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is GZYADFNQOUVFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-18(20-17(24)13-15-9-11-21(2)12-10-15)19(25)23(22(14)3)16-7-5-4-6-8-16/h4-8,15H,9-13H2,1-3H3,(H,20,24).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99969735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).