2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid

C17H18FN3O3 — CID 119217584

IUPAC2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1c(C(=O)NC2(CC(=O)O)CCC2)cnn1-c1ccccc1F
InChIInChI=1S/C17H18FN3O3/c1-11-12(10-19-21(11)14-6-3-2-5-13(14)18)16(24)20-17(7-4-8-17)9-15(22)23/h2-3,5-6,10H,4,7-9H2,1H3,(H,20,24)(H,22,23)
InChIKeyXLOIAJKBSKWVIW-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.45
Rot. Bonds5

About 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid

2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid (PubChem CID 119217584) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
PubChem CID119217584
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
SMILESCc1c(C(=O)NC2(CC(=O)O)CCC2)cnn1-c1ccccc1F
InChIInChI=1S/C17H18FN3O3/c1-11-12(10-19-21(11)14-6-3-2-5-13(14)18)16(24)20-17(7-4-8-17)9-15(22)23/h2-3,5-6,10H,4,7-9H2,1H3,(H,20,24)(H,22,23)
InChIKeyXLOIAJKBSKWVIW-UHFFFAOYSA-N
XLogP2.45
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217136
1-(2-fluorophenyl)-5-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-4-carboxamide
CID 134026765
N'-(2-fluorobenzoyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carbohydrazide
CID 33480680
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 75417905
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111480283
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
2-[4-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214898
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 60566225
1-(2-fluorophenyl)-5-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide
CID 134026091

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid (CID 119217584) is 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid is Cc1c(C(=O)NC2(CC(=O)O)CCC2)cnn1-c1ccccc1F.
What is the InChIKey of 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid?
The InChIKey is XLOIAJKBSKWVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-11-12(10-19-21(11)14-6-3-2-5-13(14)18)16(24)20-17(7-4-8-17)9-15(22)23/h2-3,5-6,10H,4,7-9H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid?
2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid has a molecular weight of 331.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).