ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate

C18H17N3O2 — CID 13219970

IUPACethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-2-23-18(22)15-16(13-9-5-3-6-10-13)21(20-17(15)19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,19,20)
InChIKeyJUMCWQYKPQDFPW-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.30
Rot. Bonds4

About ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate

ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate (PubChem CID 13219970) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate
PubChem CID13219970
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Nameethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-2-23-18(22)15-16(13-9-5-3-6-10-13)21(20-17(15)19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,19,20)
InChIKeyJUMCWQYKPQDFPW-UHFFFAOYSA-N
XLogP3.30
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate (CID 13219970) is ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate is CCOC(=O)c1c(N)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate?
The InChIKey is JUMCWQYKPQDFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-23-18(22)15-16(13-9-5-3-6-10-13)21(20-17(15)19)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H2,19,20).
What are the key properties of ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate?
ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 13219970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).