2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid

C12H19N3O3 — CID 66121770

IUPAC2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
SMILESCCc1cc(C(=O)N(CC)CC(=O)O)n(CC)n1
InChIInChI=1S/C12H19N3O3/c1-4-9-7-10(15(6-3)13-9)12(18)14(5-2)8-11(16)17/h7H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyFHNQKEUBEAWKHZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.01
Rot. Bonds6

About 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid

2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid (PubChem CID 66121770) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
PubChem CID66121770
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
SMILESCCc1cc(C(=O)N(CC)CC(=O)O)n(CC)n1
InChIInChI=1S/C12H19N3O3/c1-4-9-7-10(15(6-3)13-9)12(18)14(5-2)8-11(16)17/h7H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyFHNQKEUBEAWKHZ-UHFFFAOYSA-N
XLogP1.01
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid
CID 66121962
2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid
CID 107434236
3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
CID 66121181
N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide
CID 66120244
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 104556601
2-[ethyl-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)amino]acetic acid
CID 75482430
N-(cyanomethyl)-1,3-diethyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121391
ethyl 2-[ethyl-(3-ethyl-1-methylpyrazole-5-carbonyl)amino]acetate
CID 66122513
2-[ethyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 61011424
N-(3-bromopropyl)-1,3-diethyl-N-propan-2-ylpyrazole-5-carboxamide
CID 80661593
1,3-diethyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrazole-5-carboxamide
CID 66122171
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid?
The IUPAC name of 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid (CID 66121770) is 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid is CCc1cc(C(=O)N(CC)CC(=O)O)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid?
The InChIKey is FHNQKEUBEAWKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-9-7-10(15(6-3)13-9)12(18)14(5-2)8-11(16)17/h7H,4-6,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid?
2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid is sourced from PubChem (CID 66121770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).