2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid

C18H21N3O3 — CID 119217136

IUPAC2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1cccc(-n2ncc(C(=O)NC3(CC(=O)O)CCC3)c2C)c1
InChIInChI=1S/C18H21N3O3/c1-12-5-3-6-14(9-12)21-13(2)15(11-19-21)17(24)20-18(7-4-8-18)10-16(22)23/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyJIIULKZEOAUIPO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.62
Rot. Bonds5

About 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 119217136) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID119217136
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1cccc(-n2ncc(C(=O)NC3(CC(=O)O)CCC3)c2C)c1
InChIInChI=1S/C18H21N3O3/c1-12-5-3-6-14(9-12)21-13(2)15(11-19-21)17(24)20-18(7-4-8-18)10-16(22)23/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyJIIULKZEOAUIPO-UHFFFAOYSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217584
N-[1-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119566491
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217378
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36747874
5-methyl-1-(3-methylphenyl)-N-(2-phenylbutyl)pyrazole-4-carboxamide
CID 46549741
N-[(S)-cyclopropyl(phenyl)methyl]-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 36860846
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 33041157
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid (CID 119217136) is 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid is Cc1cccc(-n2ncc(C(=O)NC3(CC(=O)O)CCC3)c2C)c1.
What is the InChIKey of 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is JIIULKZEOAUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-5-3-6-14(9-12)21-13(2)15(11-19-21)17(24)20-18(7-4-8-18)10-16(22)23/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).