2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid

C12H19N3O3 — CID 75482430

IUPAC2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C12H19N3O3/c1-5-15(7-11(16)17)12(18)10-6-9(8(2)3)13-14(10)4/h6,8H,5,7H2,1-4H3,(H,16,17)
InChIKeyLELJHCWOXYLVRZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.09
Rot. Bonds5

About 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid

2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid (PubChem CID 75482430) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
PubChem CID75482430
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cc(C(C)C)nn1C
InChIInChI=1S/C12H19N3O3/c1-5-15(7-11(16)17)12(18)10-6-9(8(2)3)13-14(10)4/h6,8H,5,7H2,1-4H3,(H,16,17)
InChIKeyLELJHCWOXYLVRZ-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
CID 119194742
N-ethyl-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97052134
2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
N-benzyl-N-(2-hydroxyethyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565388
2-[tert-butyl-(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
CID 79265279
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
CID 66121770
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
N-[(3R)-3-hydroxy-3-phenylpropyl]-N,1-dimethyl-3-propan-2-ylpyrazole-5-carboxamide
CID 95119417
N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97095637

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid (CID 75482430) is 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1cc(C(C)C)nn1C.
What is the InChIKey of 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid?
The InChIKey is LELJHCWOXYLVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-15(7-11(16)17)12(18)10-6-9(8(2)3)13-14(10)4/h6,8H,5,7H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid?
2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 75482430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).