3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide

C20H28N4O — CID 136568853

IUPAC3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2cn(C)nc2C2CCCC2)c1
InChIInChI=1S/C20H28N4O/c1-4-21-20(25)16-10-9-14(2)18(11-16)22-12-17-13-24(3)23-19(17)15-7-5-6-8-15/h9-11,13,15,22H,4-8,12H2,1-3H3,(H,21,25)
InChIKeyKBALMYZVJLZEJZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.75
Rot. Bonds6

About 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide

3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide (PubChem CID 136568853) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide
PubChem CID136568853
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NCc2cn(C)nc2C2CCCC2)c1
InChIInChI=1S/C20H28N4O/c1-4-21-20(25)16-10-9-14(2)18(11-16)22-12-17-13-24(3)23-19(17)15-7-5-6-8-15/h9-11,13,15,22H,4-8,12H2,1-3H3,(H,21,25)
InChIKeyKBALMYZVJLZEJZ-UHFFFAOYSA-N
XLogP3.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-[(1-methyltriazol-4-yl)methylamino]benzamide
CID 62757049
N-[3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-2-methylphenyl]acetamide
CID 136568790
N-ethyl-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166358840
N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62748907
N-ethyl-4-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60936738
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
N-ethyl-4-methyl-3-[[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 99631138
3-(1-cyclopropylpropylamino)-N-ethyl-4-methylbenzamide
CID 64918833
N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
CID 65080069

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide (CID 136568853) is 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NCc2cn(C)nc2C2CCCC2)c1.
What is the InChIKey of 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide?
The InChIKey is KBALMYZVJLZEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-21-20(25)16-10-9-14(2)18(11-16)22-12-17-13-24(3)23-19(17)15-7-5-6-8-15/h9-11,13,15,22H,4-8,12H2,1-3H3,(H,21,25).
What are the key properties of 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide?
3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide has a molecular weight of 340.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyl-1-methylpyrazol-4-yl)methylamino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 136568853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).