5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide

C19H26N4O — CID 5308298

IUPAC5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2C)n(-c2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-15-14-18(23(21-15)17-9-4-3-5-10-17)19(24)20-11-13-22-12-7-6-8-16(22)2/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,20,24)
InChIKeyIBMZDOPTRCIXCV-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.78
Rot. Bonds5

About 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide

5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide (PubChem CID 5308298) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide
PubChem CID5308298
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2C)n(-c2ccccc2)n1
InChIInChI=1S/C19H26N4O/c1-15-14-18(23(21-15)17-9-4-3-5-10-17)19(24)20-11-13-22-12-7-6-8-16(22)2/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,20,24)
InChIKeyIBMZDOPTRCIXCV-UHFFFAOYSA-N
XLogP2.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide (CID 5308298) is 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCCN2CCCCC2C)n(-c2ccccc2)n1.
What is the InChIKey of 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide?
The InChIKey is IBMZDOPTRCIXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-14-18(23(21-15)17-9-4-3-5-10-17)19(24)20-11-13-22-12-7-6-8-16(22)2/h3-5,9-10,14,16H,6-8,11-13H2,1-2H3,(H,20,24).
What are the key properties of 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide?
5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5308298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).