ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate

C13H15N3O3 — CID 707658

IUPACethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16)
InChIKeyWPZITEXDAIWCGF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.84
Rot. Bonds4

About ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate

ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate (PubChem CID 707658) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
PubChem CID707658
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1
InChIInChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16)
InChIKeyWPZITEXDAIWCGF-UHFFFAOYSA-N
XLogP1.84
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate (CID 707658) is ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate?
The InChIKey is WPZITEXDAIWCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-19-13(17)10-11(15-16-12(10)14)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate?
ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 707658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).