2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid

C13H19N3O3 — CID 102810261

IUPAC2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCc1nn(C)cc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H19N3O3/c1-3-10-9(8-16(2)15-10)12(19)14-13(5-4-6-13)7-11(17)18/h8H,3-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyMUZKAYYRKIMARA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.11
Rot. Bonds5

About 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 102810261) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID102810261
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCc1nn(C)cc1C(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C13H19N3O3/c1-3-10-9(8-16(2)15-10)12(19)14-13(5-4-6-13)7-11(17)18/h8H,3-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyMUZKAYYRKIMARA-UHFFFAOYSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclobutyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811436
N-(1-cyanocyclopentyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 113347472
2-[1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]cyclohexyl]acetic acid
CID 138005704
1-[[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 102810291
3-ethyl-1-methyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
CID 107422800
2-[1-[(4-ethylthiadiazole-5-carbonyl)amino]cyclobutyl]acetic acid
CID 79848305
2-[1-[(4-ethylbenzoyl)amino]cyclopentyl]acetic acid
CID 64673374
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811424
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclopentyl]acetic acid
CID 66127117
2-[1-[(2-chloro-5-methylsulfanylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848323
N-(1-cyano-4-methylcyclohexyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810444

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid (CID 102810261) is 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid is CCc1nn(C)cc1C(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is MUZKAYYRKIMARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-10-9(8-16(2)15-10)12(19)14-13(5-4-6-13)7-11(17)18/h8H,3-7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 102810261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).