tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate

C19H27N3O3 — CID 42873954

IUPACtert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate
SMILESCCc1c(N)c(CCc2ccc(OC)cc2)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C19H27N3O3/c1-6-16-17(20)15(21-22(16)18(23)25-19(2,3)4)12-9-13-7-10-14(24-5)11-8-13/h7-8,10-11H,6,9,12,20H2,1-5H3
InChIKeyYCIPWVONSSIKGM-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.60
Rot. Bonds5

About tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate

tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate (PubChem CID 42873954) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate
PubChem CID42873954
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate
SMILESCCc1c(N)c(CCc2ccc(OC)cc2)nn1C(=O)OC(C)(C)C
InChIInChI=1S/C19H27N3O3/c1-6-16-17(20)15(21-22(16)18(23)25-19(2,3)4)12-9-13-7-10-14(24-5)11-8-13/h7-8,10-11H,6,9,12,20H2,1-5H3
InChIKeyYCIPWVONSSIKGM-UHFFFAOYSA-N
XLogP3.60
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-5-[2-(4-methoxyphenyl)ethyl]-2-methylpyrazol-3-amine
CID 43670771
tert-butyl 4-amino-3-(3-methoxyphenyl)-5-(2-methylpropyl)pyrazole-1-carboxylate
CID 42873977
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
CID 79848371
tert-butyl 4-[3-(4-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 51124373
tert-butyl 3-(bromomethyl)-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate
CID 158397860
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
tert-butyl 4-amino-3-(2-fluoro-4-methoxyphenyl)-5-methylpyrazole-1-carboxylate
CID 42873965
tert-butyl 5-amino-3-[(3,5-dimethoxyphenyl)methoxy]pyrazole-1-carboxylate
CID 66589741
tert-butyl 4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxylate
CID 78903599
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66014362
tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate
CID 59333103

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate (CID 42873954) is tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate is CCc1c(N)c(CCc2ccc(OC)cc2)nn1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate?
The InChIKey is YCIPWVONSSIKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-6-16-17(20)15(21-22(16)18(23)25-19(2,3)4)12-9-13-7-10-14(24-5)11-8-13/h7-8,10-11H,6,9,12,20H2,1-5H3.
What are the key properties of tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate?
tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-5-ethyl-3-[2-(4-methoxyphenyl)ethyl]pyrazole-1-carboxylate is sourced from PubChem (CID 42873954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).