methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate

C15H19N3O2 — CID 62128125

IUPACmethyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
SMILESCCn1cc(CNC(C(=O)OC)c2ccccc2)cn1
InChIInChI=1S/C15H19N3O2/c1-3-18-11-12(10-17-18)9-16-14(15(19)20-2)13-7-5-4-6-8-13/h4-8,10-11,14,16H,3,9H2,1-2H3
InChIKeyWPSKOJOFJSVXKJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.91
Rot. Bonds6

About methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate

methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate (PubChem CID 62128125) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
PubChem CID62128125
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
SMILESCCn1cc(CNC(C(=O)OC)c2ccccc2)cn1
InChIInChI=1S/C15H19N3O2/c1-3-18-11-12(10-17-18)9-16-14(15(19)20-2)13-7-5-4-6-8-13/h4-8,10-11,14,16H,3,9H2,1-2H3
InChIKeyWPSKOJOFJSVXKJ-UHFFFAOYSA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetate
CID 64830787
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-phenylacetic acid
CID 122037992
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate
CID 66415576
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
methyl (2S)-2-[(1-ethylpyrazol-4-yl)methylamino]-3-methylbutanoate
CID 94358808
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
2-[(1-ethylpyrazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63261204
methyl (2S,3R)-2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-phenylpropanoate
CID 97223126
methyl (2R,3R)-2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]-3-phenylpropanoate
CID 97223127
ethyl 2-[(1-benzylpyrazol-4-yl)methylamino]propanoate
CID 61498436
(1-ethylpyrazol-4-yl)methylurea
CID 131065199

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate (CID 62128125) is methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate is CCn1cc(CNC(C(=O)OC)c2ccccc2)cn1.
What is the InChIKey of methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate?
The InChIKey is WPSKOJOFJSVXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-11-12(10-17-18)9-16-14(15(19)20-2)13-7-5-4-6-8-13/h4-8,10-11,14,16H,3,9H2,1-2H3.
What are the key properties of methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate?
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate has a molecular weight of 273.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate is sourced from PubChem (CID 62128125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).