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

C14H14N4O3 — CID 65339738

IUPAC(3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCOc1ccc(COC(=O)Cn2cc(N)cn2)cc1C#N
InChIInChI=1S/C14H14N4O3/c1-20-13-3-2-10(4-11(13)5-15)9-21-14(19)8-18-7-12(16)6-17-18/h2-4,6-7H,8-9,16H2,1H3
InChIKeyCHTPJEJCPWILPQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.09
Rot. Bonds5

About (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate

(3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (PubChem CID 65339738) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
PubChem CID65339738
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name(3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
SMILESCOc1ccc(COC(=O)Cn2cc(N)cn2)cc1C#N
InChIInChI=1S/C14H14N4O3/c1-20-13-3-2-10(4-11(13)5-15)9-21-14(19)8-18-7-12(16)6-17-18/h2-4,6-7H,8-9,16H2,1H3
InChIKeyCHTPJEJCPWILPQ-UHFFFAOYSA-N
XLogP1.09
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
(2-chloro-4-cyanophenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 102669585
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
(2-bromo-5-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 65326849
2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104847822
(2,4,6-trimethylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 62548645
(5-fluoro-3-pyridinyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 114084635
5-[(4-bromopyrazol-1-yl)methyl]-2-methoxybenzonitrile
CID 65339635
ethyl 2-(3-cyano-4-methoxyphenyl)acetate
CID 134652114
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
methyl 4-amino-1-[(3-cyano-4-methoxyphenyl)methyl]pyrrole-2-carboxylate
CID 65340215

Frequently Asked Questions

What is the IUPAC name of (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The IUPAC name of (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate (CID 65339738) is (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The canonical SMILES for (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is COc1ccc(COC(=O)Cn2cc(N)cn2)cc1C#N.
What is the InChIKey of (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
The InChIKey is CHTPJEJCPWILPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-20-13-3-2-10(4-11(13)5-15)9-21-14(19)8-18-7-12(16)6-17-18/h2-4,6-7H,8-9,16H2,1H3.
What are the key properties of (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate?
(3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate has a molecular weight of 286.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 65339738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).