methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate

C15H19N3O3 — CID 177221814

IUPACmethyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate
SMILESCOC(=O)NCC(c1ccccc1)c1cnn(C)c1OC
InChIInChI=1S/C15H19N3O3/c1-18-14(20-2)13(10-17-18)12(9-16-15(19)21-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,16,19)
InChIKeyZPVGNISNVZZECP-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.92
Rot. Bonds5

About methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate

methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate (PubChem CID 177221814) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate
PubChem CID177221814
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate
SMILESCOC(=O)NCC(c1ccccc1)c1cnn(C)c1OC
InChIInChI=1S/C15H19N3O3/c1-18-14(20-2)13(10-17-18)12(9-16-15(19)21-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,16,19)
InChIKeyZPVGNISNVZZECP-UHFFFAOYSA-N
XLogP1.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate
CID 171489198
5-methoxy-1-methyl-4-(2-nitro-1-phenylethyl)pyrazole
CID 177221817
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734
5-methoxy-1-methyl-4-propan-2-ylpyrazole
CID 146481002
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
tert-butyl N-[2-(5-amino-1-methylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 86597875
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
benzyl N-[3-(5-amino-1-methylpyrazol-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171855435
[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid
CID 67666328
tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate
CID 129409429
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate?
The IUPAC name of methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate (CID 177221814) is methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate is COC(=O)NCC(c1ccccc1)c1cnn(C)c1OC.
What is the InChIKey of methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate?
The InChIKey is ZPVGNISNVZZECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-14(20-2)13(10-17-18)12(9-16-15(19)21-3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,16,19).
What are the key properties of methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate?
methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate has a molecular weight of 289.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate is sourced from PubChem (CID 177221814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).