ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate

C13H15N3O2 — CID 820314

IUPACethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C13H15N3O2/c1-2-18-13(17)9-16-12(14)8-11(15-16)10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3
InChIKeyNQHVKAUCMSHWCF-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.70
Rot. Bonds4

About ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate

ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate (PubChem CID 820314) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
PubChem CID820314
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Nameethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate
SMILESCCOC(=O)Cn1nc(-c2ccccc2)cc1N
InChIInChI=1S/C13H15N3O2/c1-2-18-13(17)9-16-12(14)8-11(15-16)10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3
InChIKeyNQHVKAUCMSHWCF-UHFFFAOYSA-N
XLogP1.70
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-amino-3-methylpyrazol-1-yl)acetate;hydrochloride
CID 75485346
ethyl 2-[3,5-bis(4-methylphenyl)pyrazol-1-yl]acetate
CID 19586238
methyl 2-(5-amino-3-pyridin-4-ylpyrazol-1-yl)acetate
CID 67496798
ethyl 2-[3-(3-acetyloxyphenyl)-5-phenylpyrazol-1-yl]acetate
CID 162732914
ethyl 2-(4,5-diphenyltriazol-2-yl)acetate
CID 59363121
ethyl 2-[3-phenyl-5-[[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetyl]amino]pyrazol-1-yl]acetate
CID 166205571
ethyl 2-(4-chloro-5-methyl-3-phenylpyrazol-1-yl)acetate
CID 59813948
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
ethyl 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)pyrazol-1-yl]acetate
CID 90451225
ethyl 2-[3-(2-methylphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671911
2-(5-amino-3-phenylpyrazol-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 102313327

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate?
The IUPAC name of ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate (CID 820314) is ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate?
The canonical SMILES for ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate is CCOC(=O)Cn1nc(-c2ccccc2)cc1N.
What is the InChIKey of ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate?
The InChIKey is NQHVKAUCMSHWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-13(17)9-16-12(14)8-11(15-16)10-6-4-3-5-7-10/h3-8H,2,9,14H2,1H3.
What are the key properties of ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate?
ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-amino-3-phenylpyrazol-1-yl)acetate is sourced from PubChem (CID 820314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).