N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide

C24H27N5O2 — CID 55836456

IUPACN-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide
SMILESO=C(NCc1ccccc1Cn1cccn1)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H27N5O2/c30-23(27-21-8-3-4-9-21)18-10-12-22(13-11-18)28-24(31)25-16-19-6-1-2-7-20(19)17-29-15-5-14-26-29/h1-2,5-7,10-15,21H,3-4,8-9,16-17H2,(H,27,30)(H2,25,28,31)
InChIKeyUHPQTXUSGAQMDE-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.93
Rot. Bonds7

About N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide

N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide (PubChem CID 55836456) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide
PubChem CID55836456
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide
SMILESO=C(NCc1ccccc1Cn1cccn1)Nc1ccc(C(=O)NC2CCCC2)cc1
InChIInChI=1S/C24H27N5O2/c30-23(27-21-8-3-4-9-21)18-10-12-22(13-11-18)28-24(31)25-16-19-6-1-2-7-20(19)17-29-15-5-14-26-29/h1-2,5-7,10-15,21H,3-4,8-9,16-17H2,(H,27,30)(H2,25,28,31)
InChIKeyUHPQTXUSGAQMDE-UHFFFAOYSA-N
XLogP3.93
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-cyclopentyl-4-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 51085606
1-(2-hydroxycyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 110933208
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
1-(3,4-difluorophenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290797
1-cyclopentyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110992460
1-(3-fluoro-4-methylphenyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51290805
1-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 75400072
1-(6-methoxy-3-pyridinyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 51324812
1-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]urea
CID 97014256
N-cyclohexyl-2-[[N'-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111849548
4-(1,3-dithiolan-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 24560815

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide (CID 55836456) is N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide is O=C(NCc1ccccc1Cn1cccn1)Nc1ccc(C(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide?
The InChIKey is UHPQTXUSGAQMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-23(27-21-8-3-4-9-21)18-10-12-22(13-11-18)28-24(31)25-16-19-6-1-2-7-20(19)17-29-15-5-14-26-29/h1-2,5-7,10-15,21H,3-4,8-9,16-17H2,(H,27,30)(H2,25,28,31).
What are the key properties of N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide?
N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoylamino]benzamide is sourced from PubChem (CID 55836456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).