ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate

C15H18N4O3 — CID 54002860

IUPACethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(C)cc2)c(C(N)=O)c1N
InChIInChI=1S/C15H18N4O3/c1-3-22-11(20)8-19-14(16)12(15(17)21)13(18-19)10-6-4-9(2)5-7-10/h4-7H,3,8,16H2,1-2H3,(H2,17,21)
InChIKeyKMVKUXBBOXQMTD-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate

ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate (PubChem CID 54002860) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate
PubChem CID54002860
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Nameethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2ccc(C)cc2)c(C(N)=O)c1N
InChIInChI=1S/C15H18N4O3/c1-3-22-11(20)8-19-14(16)12(15(17)21)13(18-19)10-6-4-9(2)5-7-10/h4-7H,3,8,16H2,1-2H3,(H2,17,21)
InChIKeyKMVKUXBBOXQMTD-UHFFFAOYSA-N
XLogP1.10
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate (CID 54002860) is ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(-c2ccc(C)cc2)c(C(N)=O)c1N.
What is the InChIKey of ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate?
The InChIKey is KMVKUXBBOXQMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-22-11(20)8-19-14(16)12(15(17)21)13(18-19)10-6-4-9(2)5-7-10/h4-7H,3,8,16H2,1-2H3,(H2,17,21).
What are the key properties of ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate?
ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate has a molecular weight of 302.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-4-carbamoyl-3-(4-methylphenyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 54002860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).