(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

C13H15N3O3 — CID 61285978

IUPAC(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCOc1ccc(COC(=O)Cn2cc(N)cn2)cc1
InChIInChI=1S/C13H15N3O3/c1-18-12-4-2-10(3-5-12)9-19-13(17)8-16-7-11(14)6-15-16/h2-7H,8-9,14H2,1H3
InChIKeySGDLJOWUCGMSCH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.22
Rot. Bonds5

About (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 61285978) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID61285978
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCOc1ccc(COC(=O)Cn2cc(N)cn2)cc1
InChIInChI=1S/C13H15N3O3/c1-18-12-4-2-10(3-5-12)9-19-13(17)8-16-7-11(14)6-15-16/h2-7H,8-9,14H2,1H3
InChIKeySGDLJOWUCGMSCH-UHFFFAOYSA-N
XLogP1.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxybenzyl N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 5124247
N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide
CID 26357859
1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine
CID 28373987
1-[(4-ethylphenoxy)methyl]-1H-pyrazol-4-amine
CID 7017257
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylacetamide
CID 16356435
N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 71857097
1-(3-Fluoro-4-methoxybenzyl)-1h-pyrazol-4-amine
CID 43154850
3-(5-fluoro-2H-pyrimidin-1-yl)-N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 176048508
1-[3,3,3-Trifluoro-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propyl]pyrazol-4-amine
CID 178043690
1-[2-(p-Tolyloxy)ethyl]-1h-pyrazole
CID 61564925
(4Z)-2-[4-(difluoromethoxy)phenyl]-4-[(1-methylpyrazol-4-yl)methylidene]-1,3-oxazol-5-one
CID 17404763
(E)-3-(4-methoxyphenyl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]prop-2-enamide
CID 19340706

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 61285978) is (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is COc1ccc(COC(=O)Cn2cc(N)cn2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is SGDLJOWUCGMSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-12-4-2-10(3-5-12)9-19-13(17)8-16-7-11(14)6-15-16/h2-7H,8-9,14H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 61285978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).