ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate

C16H15N3O2 — CID 722115

IUPACethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3ccccc3c2)c1N
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)14-10-18-19(15(14)17)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2,17H2,1H3
InChIKeyHPIRZLWDYNSASN-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.78
Rot. Bonds3

About ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate

ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate (PubChem CID 722115) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate
PubChem CID722115
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc3ccccc3c2)c1N
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)14-10-18-19(15(14)17)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2,17H2,1H3
InChIKeyHPIRZLWDYNSASN-UHFFFAOYSA-N
XLogP2.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate (CID 722115) is ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc3ccccc3c2)c1N.
What is the InChIKey of ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate?
The InChIKey is HPIRZLWDYNSASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-16(20)14-10-18-19(15(14)17)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2,17H2,1H3.
What are the key properties of ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate?
ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate has a molecular weight of 281.32 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 722115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).