ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate

C14H17N3O2 — CID 107345048

IUPACethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CCc2ccccc2)cc1N
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)13-12(15)10-17(16-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3
InChIKeyIVVGAXWJKSZECR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.88
Rot. Bonds5

About ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate

ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate (PubChem CID 107345048) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
PubChem CID107345048
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(CCc2ccccc2)cc1N
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)13-12(15)10-17(16-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3
InChIKeyIVVGAXWJKSZECR-UHFFFAOYSA-N
XLogP1.88
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-1-(2-hydroxyethyl)pyrazole-3-carboxylate
CID 107344782
ethyl 4-amino-1-pentylpyrazole-3-carboxylate
CID 107344874
ethyl 1-benzyl-4-chloropyrazole-3-carboxylate
CID 130298994
ethyl 4-amino-1-(3-hydroxypropyl)pyrazole-3-carboxylate
CID 107344882
ethyl 4-amino-1-(2,2-difluoro-2-phenylethyl)pyrazole-3-carboxylate
CID 107345044
ethyl 4-amino-1-[3-(ethylamino)-3-oxopropyl]pyrazole-3-carboxylate
CID 107344921
2-[[4-amino-1-(2-phenylethyl)pyrazole-3-carbonyl]amino]-3-phenylbutanoic acid
CID 68653836
ethyl 4-amino-1-(3-amino-2-methyl-3-oxopropyl)pyrazole-3-carboxylate
CID 107345022
ethyl 4-amino-1-[2-(diethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344903
ethyl 4-amino-1-(2-methylbutyl)pyrazole-3-carboxylate
CID 107344838
ethyl 4-amino-1-(5-cyano-5-methylhexyl)pyrazole-3-carboxylate
CID 107344862
methyl 4-amino-1-(2-phenylsulfanylethyl)pyrazole-3-carboxylate
CID 107344747

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate (CID 107345048) is ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate is CCOC(=O)c1nn(CCc2ccccc2)cc1N.
What is the InChIKey of ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate?
The InChIKey is IVVGAXWJKSZECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-14(18)13-12(15)10-17(16-13)9-8-11-6-4-3-5-7-11/h3-7,10H,2,8-9,15H2,1H3.
What are the key properties of ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate?
ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-1-(2-phenylethyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107345048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).