2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid

C17H18FN3O3 — CID 119213295

IUPAC2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(C(=O)O)C3CC3)cc2F)n1
InChIInChI=1S/C17H18FN3O3/c1-9-7-10(2)21(20-9)14-6-5-12(8-13(14)18)16(22)19-15(17(23)24)11-3-4-11/h5-8,11,15H,3-4H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyGMYWVDBYPDYVEY-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.22
Rot. Bonds5

About 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid

2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid (PubChem CID 119213295) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
PubChem CID119213295
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(C(=O)O)C3CC3)cc2F)n1
InChIInChI=1S/C17H18FN3O3/c1-9-7-10(2)21(20-9)14-6-5-12(8-13(14)18)16(22)19-15(17(23)24)11-3-4-11/h5-8,11,15H,3-4H2,1-2H3,(H,19,22)(H,23,24)
InChIKeyGMYWVDBYPDYVEY-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-4-methylpentanoic acid
CID 119188115
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-[(3R)-1-hydroxy-4-methylpentan-3-yl]benzamide
CID 96540104
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide;hydrochloride
CID 119459600
[4-(1-aminoethyl)piperidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone
CID 119520955
[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434091
3-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249379
4-(3,5-dimethylpyrazol-1-yl)-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120576981
N-(2-amino-2-methylpropyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119630697
2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
CID 119213700
N-(3-aminobutyl)-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide
CID 119499692
(2S)-2-cyano-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methyl-3-oxopropanamide
CID 98360581
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanone;hydrochloride
CID 119376909

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid (CID 119213295) is 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid is Cc1cc(C)n(-c2ccc(C(=O)NC(C(=O)O)C3CC3)cc2F)n1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid?
The InChIKey is GMYWVDBYPDYVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-9-7-10(2)21(20-9)14-6-5-12(8-13(14)18)16(22)19-15(17(23)24)11-3-4-11/h5-8,11,15H,3-4H2,1-2H3,(H,19,22)(H,23,24).
What are the key properties of 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid?
2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid has a molecular weight of 331.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid is sourced from PubChem (CID 119213295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).