2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide

C21H31N5O2 — CID 55741405

IUPAC2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C21H31N5O2/c1-4-5-11-25(14-20(22)27)15-21(28)23-12-19-16(2)24-26(17(19)3)13-18-9-7-6-8-10-18/h6-10H,4-5,11-15H2,1-3H3,(H2,22,27)(H,23,28)
InChIKeyFOEMKJXBSCCVSF-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.75
Rot. Bonds11

About 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide

2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide (PubChem CID 55741405) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide
PubChem CID55741405
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C21H31N5O2/c1-4-5-11-25(14-20(22)27)15-21(28)23-12-19-16(2)24-26(17(19)3)13-18-9-7-6-8-10-18/h6-10H,4-5,11-15H2,1-3H3,(H2,22,27)(H,23,28)
InChIKeyFOEMKJXBSCCVSF-UHFFFAOYSA-N
XLogP1.75
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
CID 18129608
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110883026
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl] 2-phenylbutanoate
CID 55467846
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 24566118
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565669
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]urea
CID 78879963
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide?
The IUPAC name of 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide (CID 55741405) is 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide.
What is the SMILES notation for 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide?
The canonical SMILES for 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide is CCCCN(CC(N)=O)CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide?
The InChIKey is FOEMKJXBSCCVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-4-5-11-25(14-20(22)27)15-21(28)23-12-19-16(2)24-26(17(19)3)13-18-9-7-6-8-10-18/h6-10H,4-5,11-15H2,1-3H3,(H2,22,27)(H,23,28).
What are the key properties of 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide?
2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide has a molecular weight of 385.51 g/mol, XLogP of 1.75, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide is sourced from PubChem (CID 55741405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).