2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide

C18H26N4O — CID 22196628

IUPAC2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCc1nn(C)c(C)c1CN(C)CC(=O)NCCc1ccccc1
InChIInChI=1S/C18H26N4O/c1-14-17(15(2)22(4)20-14)12-21(3)13-18(23)19-11-10-16-8-6-5-7-9-16/h5-9H,10-13H2,1-4H3,(H,19,23)
InChIKeyGGJFOWIDTMQFRM-UHFFFAOYSA-N
MW314.43 g/mol
LogP1.83
Rot. Bonds7

About 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide

2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 22196628) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide
PubChem CID22196628
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCc1nn(C)c(C)c1CN(C)CC(=O)NCCc1ccccc1
InChIInChI=1S/C18H26N4O/c1-14-17(15(2)22(4)20-14)12-21(3)13-18(23)19-11-10-16-8-6-5-7-9-16/h5-9H,10-13H2,1-4H3,(H,19,23)
InChIKeyGGJFOWIDTMQFRM-UHFFFAOYSA-N
XLogP1.83
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 91832676
N-(4-ethylphenyl)-2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]acetamide
CID 22196576
2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 91841217
2-methyl-1-(2-phenylethyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111134476
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 78817255
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257
2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide
CID 155815083
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639
2-[(5-hydrazinyl-1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 55050607

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide (CID 22196628) is 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide is Cc1nn(C)c(C)c1CN(C)CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is GGJFOWIDTMQFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-17(15(2)22(4)20-14)12-21(3)13-18(23)19-11-10-16-8-6-5-7-9-16/h5-9H,10-13H2,1-4H3,(H,19,23).
What are the key properties of 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide?
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 314.43 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 22196628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).