N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C21H26F2N4O — CID 24793035

IUPACN-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)C1CCCC1
InChIInChI=1S/C21H26F2N4O/c22-18-7-3-6-16(20(18)23)14-26-12-9-17(10-13-26)27-19(8-11-24-27)25-21(28)15-4-1-2-5-15/h3,6-8,11,15,17H,1-2,4-5,9-10,12-14H2,(H,25,28)
InChIKeySXGPIJFJDWQUBK-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.13
Rot. Bonds5

About N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24793035) has the molecular formula C21H26F2N4O and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24793035
Molecular FormulaC21H26F2N4O
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC NameN-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)C1CCCC1
InChIInChI=1S/C21H26F2N4O/c22-18-7-3-6-16(20(18)23)14-26-12-9-17(10-13-26)27-19(8-11-24-27)25-21(28)15-4-1-2-5-15/h3,6-8,11,15,17H,1-2,4-5,9-10,12-14H2,(H,25,28)
InChIKeySXGPIJFJDWQUBK-UHFFFAOYSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24793035) is N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is O=C(Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)C1CCCC1.
What is the InChIKey of N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is SXGPIJFJDWQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O/c22-18-7-3-6-16(20(18)23)14-26-12-9-17(10-13-26)27-19(8-11-24-27)25-21(28)15-4-1-2-5-15/h3,6-8,11,15,17H,1-2,4-5,9-10,12-14H2,(H,25,28).
What are the key properties of N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 388.46 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24793035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).