methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate

C9H15N3O2 — CID 154882023

IUPACmethyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate
SMILESCCn1nc(C)cc1NCC(=O)OC
InChIInChI=1S/C9H15N3O2/c1-4-12-8(5-7(2)11-12)10-6-9(13)14-3/h5,10H,4,6H2,1-3H3
InChIKeyWWDCFIDVLGYZDD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.80
Rot. Bonds4

About methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate

methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate (PubChem CID 154882023) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate
PubChem CID154882023
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Namemethyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate
SMILESCCn1nc(C)cc1NCC(=O)OC
InChIInChI=1S/C9H15N3O2/c1-4-12-8(5-7(2)11-12)10-6-9(13)14-3/h5,10H,4,6H2,1-3H3
InChIKeyWWDCFIDVLGYZDD-UHFFFAOYSA-N
XLogP0.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)-methylamino]acetate
CID 62733450
2-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]benzoic acid;hydrochloride
CID 126966228
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
3-[[(2-ethyl-5-methylpyrazol-3-yl)amino]methyl]phenol
CID 122168788
methyl 3-[(2-ethyl-5-methylpyrazol-3-yl)methylsulfanyl]butanoate
CID 66114843
2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 45284669
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 19890364
methyl 2-[[5-(2-ethyl-5-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 23007163
methyl 2-[[5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]acetate
CID 46262807
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 35766434

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate (CID 154882023) is methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate is CCn1nc(C)cc1NCC(=O)OC.
What is the InChIKey of methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate?
The InChIKey is WWDCFIDVLGYZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-12-8(5-7(2)11-12)10-6-9(13)14-3/h5,10H,4,6H2,1-3H3.
What are the key properties of methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate?
methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate has a molecular weight of 197.24 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate is sourced from PubChem (CID 154882023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).