N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide

C25H28N4O2 — CID 86883256

IUPACN-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C25H28N4O2/c30-24(17-27-25(31)21-6-1-2-7-21)26-16-22-8-3-4-9-23(22)20-12-10-19(11-13-20)18-29-15-5-14-28-29/h3-5,8-15,21H,1-2,6-7,16-18H2,(H,26,30)(H,27,31)
InChIKeyZEXBZTKTYVQZIU-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.52
Rot. Bonds8

About N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide

N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide (PubChem CID 86883256) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide
PubChem CID86883256
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C25H28N4O2/c30-24(17-27-25(31)21-6-1-2-7-21)26-16-22-8-3-4-9-23(22)20-12-10-19(11-13-20)18-29-15-5-14-28-29/h3-5,8-15,21H,1-2,6-7,16-18H2,(H,26,30)(H,27,31)
InChIKeyZEXBZTKTYVQZIU-UHFFFAOYSA-N
XLogP3.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]cyclobutanecarboxamide
CID 35955520
N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 56548066
1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
CID 136553019
2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide
CID 119759392
2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide
CID 55940350
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42944706
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 5167507
2-(cyclopropylmethylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119697944
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18105806
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 124504969
N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55618585
N-[(2-cyclopentyloxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55810206

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide (CID 86883256) is N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)NCc1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide?
The InChIKey is ZEXBZTKTYVQZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(17-27-25(31)21-6-1-2-7-21)26-16-22-8-3-4-9-23(22)20-12-10-19(11-13-20)18-29-15-5-14-28-29/h3-5,8-15,21H,1-2,6-7,16-18H2,(H,26,30)(H,27,31).
What are the key properties of N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide?
N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 86883256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).