N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C23H26N4O2 — CID 26322158

IUPACN-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(-c3ccco3)c2)CC1)C1CC1
InChIInChI=1S/C23H26N4O2/c28-23(18-6-7-18)25-22-8-11-24-27(22)20-9-12-26(13-10-20)16-17-3-1-4-19(15-17)21-5-2-14-29-21/h1-5,8,11,14-15,18,20H,6-7,9-10,12-13,16H2,(H,25,28)
InChIKeyPMLLTJLEJAWZHX-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.33
Rot. Bonds6

About N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 26322158) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID26322158
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(-c3ccco3)c2)CC1)C1CC1
InChIInChI=1S/C23H26N4O2/c28-23(18-6-7-18)25-22-8-11-24-27(22)20-9-12-26(13-10-20)16-17-3-1-4-19(15-17)21-5-2-14-29-21/h1-5,8,11,14-15,18,20H,6-7,9-10,12-13,16H2,(H,25,28)
InChIKeyPMLLTJLEJAWZHX-UHFFFAOYSA-N
XLogP4.33
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 26322158) is N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is O=C(Nc1ccnn1C1CCN(Cc2cccc(-c3ccco3)c2)CC1)C1CC1.
What is the InChIKey of N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is PMLLTJLEJAWZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(18-6-7-18)25-22-8-11-24-27(22)20-9-12-26(13-10-20)16-17-3-1-4-19(15-17)21-5-2-14-29-21/h1-5,8,11,14-15,18,20H,6-7,9-10,12-13,16H2,(H,25,28).
What are the key properties of N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[3-(furan-2-yl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 26322158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).