N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide

C20H26N4O2 — CID 24816610

IUPACN-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-26-18-7-5-15(6-8-18)20(25)22-19-9-12-21-24(19)17-10-13-23(14-11-17)16-3-2-4-16/h5-9,12,16-17H,2-4,10-11,13-14H2,1H3,(H,22,25)
InChIKeyREHRAQWLTDSWGG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide

N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide (PubChem CID 24816610) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
PubChem CID24816610
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2C2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-26-18-7-5-15(6-8-18)20(25)22-19-9-12-21-24(19)17-10-13-23(14-11-17)16-3-2-4-16/h5-9,12,16-17H,2-4,10-11,13-14H2,1H3,(H,22,25)
InChIKeyREHRAQWLTDSWGG-UHFFFAOYSA-N
XLogP3.33
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide (CID 24816610) is N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccnn2C2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is REHRAQWLTDSWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-18-7-5-15(6-8-18)20(25)22-19-9-12-21-24(19)17-10-13-23(14-11-17)16-3-2-4-16/h5-9,12,16-17H,2-4,10-11,13-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide?
N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclobutylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 24816610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).