methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate

C15H20N4O2 — CID 66016028

IUPACmethyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
SMILESCCc1nn(C)c(NC(C(=O)OC)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-4-11-12(16)14(19(2)18-11)17-13(15(20)21-3)10-8-6-5-7-9-10/h5-9,13,17H,4,16H2,1-3H3
InChIKeyWXPMJSZZPMFOAP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.89
Rot. Bonds5

About methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate

methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate (PubChem CID 66016028) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
PubChem CID66016028
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate
SMILESCCc1nn(C)c(NC(C(=O)OC)c2ccccc2)c1N
InChIInChI=1S/C15H20N4O2/c1-4-11-12(16)14(19(2)18-11)17-13(15(20)21-3)10-8-6-5-7-9-10/h5-9,13,17H,4,16H2,1-3H3
InChIKeyWXPMJSZZPMFOAP-UHFFFAOYSA-N
XLogP1.89
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66196027
1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
CID 66018634
1-phenylethyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 66117831
4-amino-3-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]-1-methylpyrazole-5-carboxamide
CID 107861753
5-N-[1-(4-chlorophenyl)ethyl]-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66016788
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106733
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62109290
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
CID 62939898
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
CID 55036159
2-[(4-amino-1-methyl-3-propylpyrazol-5-yl)amino]-1-phenylethanol
CID 66017879

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate (CID 66016028) is methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate is CCc1nn(C)c(NC(C(=O)OC)c2ccccc2)c1N.
What is the InChIKey of methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate?
The InChIKey is WXPMJSZZPMFOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-11-12(16)14(19(2)18-11)17-13(15(20)21-3)10-8-6-5-7-9-10/h5-9,13,17H,4,16H2,1-3H3.
What are the key properties of methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate?
methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate has a molecular weight of 288.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)amino]-2-phenylacetate is sourced from PubChem (CID 66016028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).