4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid

C18H22FN3O3 — CID 119172739

IUPAC4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid
SMILESCC(C)c1c(C(=O)N(C)CCCC(=O)O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O3/c1-12(2)17-15(18(25)21(3)10-4-5-16(23)24)11-20-22(17)14-8-6-13(19)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24)
InChIKeyABJDKOBPZMSZCY-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.07
Rot. Bonds7

About 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid

4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid (PubChem CID 119172739) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid
PubChem CID119172739
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid
SMILESCC(C)c1c(C(=O)N(C)CCCC(=O)O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O3/c1-12(2)17-15(18(25)21(3)10-4-5-16(23)24)11-20-22(17)14-8-6-13(19)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24)
InChIKeyABJDKOBPZMSZCY-UHFFFAOYSA-N
XLogP3.07
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid with MolForge

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Related Compounds

N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119659165
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 110885932
5-[[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119221926
N-(3-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119998270
4-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-methylamino]butanoic acid
CID 120513891
N,N-diethyl-1-phenyl-5-propan-2-ylpyrazole-4-carboxamide
CID 11403408
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119652642
2-[[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119359343
N-[2-(4-fluorophenoxy)ethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 34472485
N-(1-aminopropan-2-yl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119582420
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid (CID 119172739) is 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid is CC(C)c1c(C(=O)N(C)CCCC(=O)O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid?
The InChIKey is ABJDKOBPZMSZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12(2)17-15(18(25)21(3)10-4-5-16(23)24)11-20-22(17)14-8-6-13(19)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24).
What are the key properties of 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid?
4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid has a molecular weight of 347.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid is sourced from PubChem (CID 119172739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).