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

C18H20FN3O3 — CID 75469155

IUPAC2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCC3C(=O)O)cc2F)n1
InChIInChI=1S/C18H20FN3O3/c1-10-8-11(2)22(21-10)16-7-6-12(9-14(16)19)17(23)20-15-5-3-4-13(15)18(24)25/h6-9,13,15H,3-5H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyJNDPMLRNAWCTKI-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.61
Rot. Bonds4

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

2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 75469155) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID75469155
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCC3C(=O)O)cc2F)n1
InChIInChI=1S/C18H20FN3O3/c1-10-8-11(2)22(21-10)16-7-6-12(9-14(16)19)17(23)20-15-5-3-4-13(15)18(24)25/h6-9,13,15H,3-5H2,1-2H3,(H,20,23)(H,24,25)
InChIKeyJNDPMLRNAWCTKI-UHFFFAOYSA-N
XLogP2.61
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid (CID 75469155) is 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid is Cc1cc(C)n(-c2ccc(C(=O)NC3CCCC3C(=O)O)cc2F)n1.
What is the InChIKey of 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is JNDPMLRNAWCTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-10-8-11(2)22(21-10)16-7-6-12(9-14(16)19)17(23)20-15-5-3-4-13(15)18(24)25/h6-9,13,15H,3-5H2,1-2H3,(H,20,23)(H,24,25).
What are the key properties of 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid?
2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 345.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 75469155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).