2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

C15H16FN3O3 — CID 120696220

IUPAC2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCc1cc(F)cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c1
InChIInChI=1S/C15H16FN3O3/c1-9-4-10(6-11(16)5-9)13(20)18-12-7-17-19(8-12)15(2,3)14(21)22/h4-8H,1-3H3,(H,18,20)(H,21,22)
InChIKeyFRRPCCJOSAOIRN-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.40
Rot. Bonds4

About 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid

2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (PubChem CID 120696220) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
PubChem CID120696220
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
SMILESCc1cc(F)cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c1
InChIInChI=1S/C15H16FN3O3/c1-9-4-10(6-11(16)5-9)13(20)18-12-7-17-19(8-12)15(2,3)14(21)22/h4-8H,1-3H3,(H,18,20)(H,21,22)
InChIKeyFRRPCCJOSAOIRN-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-[(4-methylbenzoyl)amino]pyrazol-1-yl]propanoic acid
CID 120696431
2-[4-[(4-tert-butylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696583
2-[4-[(5-bromothiophene-3-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696576
2-[4-[[1-(3,5-dimethylphenyl)-5-methylpyrazole-3-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696908
2-methyl-2-[4-(thiophene-3-carbonylamino)pyrazol-1-yl]propanoic acid
CID 120696625
2-[4-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697747
2-methyl-2-[4-[[3-(trifluoromethoxy)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120696478
2-[4-(1,3-benzodioxole-5-carbonylamino)pyrazol-1-yl]-2-methylpropanoic acid
CID 120697282
2-methyl-2-[4-[[4-(3,3,3-trifluoropropyl)benzoyl]amino]pyrazol-1-yl]propanoic acid
CID 120697314
2-[4-[[4-(diethylcarbamoyl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696513
2-methyl-2-[4-[[2-(2-methylpropyl)-6-oxo-1H-pyridine-4-carbonyl]amino]pyrazol-1-yl]propanoic acid
CID 120697503
2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697436

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid (CID 120696220) is 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is Cc1cc(F)cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c1.
What is the InChIKey of 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is FRRPCCJOSAOIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-9-4-10(6-11(16)5-9)13(20)18-12-7-17-19(8-12)15(2,3)14(21)22/h4-8H,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid?
2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 305.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-5-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 120696220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).