methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate

C14H16BrN3O2 — CID 86791823

IUPACmethyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate
SMILESCCn1cc(NC(C(=O)OC)c2cccc(Br)c2)cn1
InChIInChI=1S/C14H16BrN3O2/c1-3-18-9-12(8-16-18)17-13(14(19)20-2)10-5-4-6-11(15)7-10/h4-9,13,17H,3H2,1-2H3
InChIKeyUZHWOZGNMXNOQH-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate

methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate (PubChem CID 86791823) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate
PubChem CID86791823
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Namemethyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate
SMILESCCn1cc(NC(C(=O)OC)c2cccc(Br)c2)cn1
InChIInChI=1S/C14H16BrN3O2/c1-3-18-9-12(8-16-18)17-13(14(19)20-2)10-5-4-6-11(15)7-10/h4-9,13,17H,3H2,1-2H3
InChIKeyUZHWOZGNMXNOQH-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetate
CID 103569974
[(3-bromophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105197955
methyl 2-(3-bromophenyl)-2-(butan-2-ylamino)acetate
CID 54908509
methyl 2-(3-bromoanilino)-2-(3,4-dichlorophenyl)acetate
CID 63524457
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
N'-(1-ethylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)oxamide
CID 60551908
methyl 2-(3,5-dichlorophenyl)-2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]acetate
CID 166214329
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
methyl 2-(3-bromoanilino)-2-(3-propylimidazol-4-yl)acetate
CID 66132215
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
CID 43543392

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate?
The IUPAC name of methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate (CID 86791823) is methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate?
The canonical SMILES for methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate is CCn1cc(NC(C(=O)OC)c2cccc(Br)c2)cn1.
What is the InChIKey of methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate?
The InChIKey is UZHWOZGNMXNOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-3-18-9-12(8-16-18)17-13(14(19)20-2)10-5-4-6-11(15)7-10/h4-9,13,17H,3H2,1-2H3.
What are the key properties of methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate?
methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate has a molecular weight of 338.21 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-2-[(1-ethylpyrazol-4-yl)amino]acetate is sourced from PubChem (CID 86791823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).