2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid

C17H18FN3O3 — CID 119202793

IUPAC2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N(C2CC2)C(C)C(=O)O)cnn1-c1ccccc1F
InChIInChI=1S/C17H18FN3O3/c1-10-13(9-19-21(10)15-6-4-3-5-14(15)18)16(22)20(12-7-8-12)11(2)17(23)24/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,24)
InChIKeyRIXOGPGFBLRCSC-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.40
Rot. Bonds5

About 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid

2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid (PubChem CID 119202793) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
PubChem CID119202793
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
SMILESCc1c(C(=O)N(C2CC2)C(C)C(=O)O)cnn1-c1ccccc1F
InChIInChI=1S/C17H18FN3O3/c1-10-13(9-19-21(10)15-6-4-3-5-14(15)18)16(22)20(12-7-8-12)11(2)17(23)24/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,24)
InChIKeyRIXOGPGFBLRCSC-UHFFFAOYSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(3-bromophenyl)-5-methylpyrazole-4-carbonyl]-cyclopropylamino]propanoic acid
CID 119202302
N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 56516891
2-cyclopropyl-2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]acetic acid
CID 119213517
2-[[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-methylamino]propanoic acid
CID 119358426
N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521016
1-(2-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 109399843
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
CID 111596653
1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide
CID 137284812
N-(1,1-dioxothiolan-3-yl)-1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazole-4-carboxamide
CID 134026366
N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189252

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid (CID 119202793) is 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid is Cc1c(C(=O)N(C2CC2)C(C)C(=O)O)cnn1-c1ccccc1F.
What is the InChIKey of 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid?
The InChIKey is RIXOGPGFBLRCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10-13(9-19-21(10)15-6-4-3-5-14(15)18)16(22)20(12-7-8-12)11(2)17(23)24/h3-6,9,11-12H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid has a molecular weight of 331.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 119202793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).