2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid

C12H19N3O3 — CID 66120317

IUPAC2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
SMILESCCc1cc(C(=O)N(CC(=O)O)C(C)C)n(C)n1
InChIInChI=1S/C12H19N3O3/c1-5-9-6-10(14(4)13-9)12(18)15(8(2)3)7-11(16)17/h6,8H,5,7H2,1-4H3,(H,16,17)
InChIKeyUEJLVHFUGDOEEA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.92
Rot. Bonds5

About 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid

2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 66120317) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID66120317
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
SMILESCCc1cc(C(=O)N(CC(=O)O)C(C)C)n(C)n1
InChIInChI=1S/C12H19N3O3/c1-5-9-6-10(14(4)13-9)12(18)15(8(2)3)7-11(16)17/h6,8H,5,7H2,1-4H3,(H,16,17)
InChIKeyUEJLVHFUGDOEEA-UHFFFAOYSA-N
XLogP0.92
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetate
CID 66120166
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-(2-bromoethyl)-3-ethyl-1-methyl-N-pentan-3-ylpyrazole-5-carboxamide
CID 80670629
N-(2-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66120573
3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
CID 113499792
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(2-bromoethyl)-N,3-diethyl-1-methylpyrazole-5-carboxamide
CID 80661046
2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
CID 75482430

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid (CID 66120317) is 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid is CCc1cc(C(=O)N(CC(=O)O)C(C)C)n(C)n1.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is UEJLVHFUGDOEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-9-6-10(14(4)13-9)12(18)15(8(2)3)7-11(16)17/h6,8H,5,7H2,1-4H3,(H,16,17).
What are the key properties of 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid?
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 66120317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).