2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C22H26N4O2 — CID 24793147

IUPAC2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-16-5-3-4-6-20(16)22(27)24-21-9-12-23-26(21)18-10-13-25(14-11-18)15-19-8-7-17(2)28-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27)
InChIKeySIGVVSAXPKWCPL-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.18
Rot. Bonds5

About 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24793147) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24793147
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)o1
InChIInChI=1S/C22H26N4O2/c1-16-5-3-4-6-20(16)22(27)24-21-9-12-23-26(21)18-10-13-25(14-11-18)15-19-8-7-17(2)28-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27)
InChIKeySIGVVSAXPKWCPL-UHFFFAOYSA-N
XLogP4.18
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24793147) is 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is Cc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)o1.
What is the InChIKey of 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is SIGVVSAXPKWCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16-5-3-4-6-20(16)22(27)24-21-9-12-23-26(21)18-10-13-25(14-11-18)15-19-8-7-17(2)28-19/h3-9,12,18H,10-11,13-15H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 378.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24793147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).