methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate

C13H21N3O3 — CID 66120166

IUPACmethyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate
SMILESCCc1cc(C(=O)N(CC(=O)OC)C(C)C)n(C)n1
InChIInChI=1S/C13H21N3O3/c1-6-10-7-11(15(4)14-10)13(18)16(9(2)3)8-12(17)19-5/h7,9H,6,8H2,1-5H3
InChIKeyWBWBURMGJCIAID-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.01
Rot. Bonds5

About methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate (PubChem CID 66120166) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate
PubChem CID66120166
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate
SMILESCCc1cc(C(=O)N(CC(=O)OC)C(C)C)n(C)n1
InChIInChI=1S/C13H21N3O3/c1-6-10-7-11(15(4)14-10)13(18)16(9(2)3)8-12(17)19-5/h7,9H,6,8H2,1-5H3
InChIKeyWBWBURMGJCIAID-UHFFFAOYSA-N
XLogP1.01
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727
ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate
CID 66122513
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
N-(2-bromoethyl)-3-ethyl-1-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 80670629
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66120573
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
CID 113499792
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate (CID 66120166) is methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate is CCc1cc(C(=O)N(CC(=O)OC)C(C)C)n(C)n1.
What is the InChIKey of methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is WBWBURMGJCIAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-10-7-11(15(4)14-10)13(18)16(9(2)3)8-12(17)19-5/h7,9H,6,8H2,1-5H3.
What are the key properties of methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 267.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 66120166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).