ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate

C15H19N3O2 — CID 60991776

IUPACethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(C)cc1)c1cnn(C)c1
InChIInChI=1S/C15H19N3O2/c1-4-20-15(19)14(12-9-16-18(3)10-12)17-13-7-5-11(2)6-8-13/h5-10,14,17H,4H2,1-3H3
InChIKeyJYCRHLGUBBNADF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.44
Rot. Bonds5

About ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate

ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate (PubChem CID 60991776) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
PubChem CID60991776
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Nameethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate
SMILESCCOC(=O)C(Nc1ccc(C)cc1)c1cnn(C)c1
InChIInChI=1S/C15H19N3O2/c1-4-20-15(19)14(12-9-16-18(3)10-12)17-13-7-5-11(2)6-8-13/h5-10,14,17H,4H2,1-3H3
InChIKeyJYCRHLGUBBNADF-UHFFFAOYSA-N
XLogP2.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-fluoroanilino)-2-(1-methylpyrazol-4-yl)acetate
CID 61001750
N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-(4-carbamoyl-3-methylanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288415
ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
CID 135028793
2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288221
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
ethyl 2-(1-methylpyrazol-4-yl)-2-(oxolan-2-ylmethylamino)acetate
CID 54890518
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 64541804
2-(4-fluoroanilino)-2-(1-propylpyrazol-4-yl)acetamide
CID 103572064
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate (CID 60991776) is ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate is CCOC(=O)C(Nc1ccc(C)cc1)c1cnn(C)c1.
What is the InChIKey of ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate?
The InChIKey is JYCRHLGUBBNADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-15(19)14(12-9-16-18(3)10-12)17-13-7-5-11(2)6-8-13/h5-10,14,17H,4H2,1-3H3.
What are the key properties of ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate?
ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate has a molecular weight of 273.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylanilino)-2-(1-methylpyrazol-4-yl)acetate is sourced from PubChem (CID 60991776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).