6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid

C16H18FN3O3 — CID 119219679

IUPAC6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C16H18FN3O3/c17-12-6-3-4-7-14(12)20-11-9-13(19-20)16(23)18-10-5-1-2-8-15(21)22/h3-4,6-7,9,11H,1-2,5,8,10H2,(H,18,23)(H,21,22)
InChIKeyKLVBXLPZEYTZES-UHFFFAOYSA-N
MW319.34 g/mol
LogP2.39
Rot. Bonds8

About 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid

6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid (PubChem CID 119219679) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
PubChem CID119219679
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C16H18FN3O3/c17-12-6-3-4-7-14(12)20-11-9-13(19-20)16(23)18-10-5-1-2-8-15(21)22/h3-4,6-7,9,11H,1-2,5,8,10H2,(H,18,23)(H,21,22)
InChIKeyKLVBXLPZEYTZES-UHFFFAOYSA-N
XLogP2.39
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
7-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]heptanoic acid
CID 120524043
7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
CID 120524082
6-[[1-(3,4-dichlorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119220055
3-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119206835
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]pyrazole-3-carboxamide
CID 120827733
N-[2-[(3-bromobenzoyl)amino]ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60614966
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
1-(2-fluorophenyl)-N-(4-hydroxy-2-methylpentyl)pyrazole-3-carboxamide
CID 111447765
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55651671
6-[[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]amino]hexanoic acid
CID 119352122

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid (CID 119219679) is 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid?
The InChIKey is KLVBXLPZEYTZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-12-6-3-4-7-14(12)20-11-9-13(19-20)16(23)18-10-5-1-2-8-15(21)22/h3-4,6-7,9,11H,1-2,5,8,10H2,(H,18,23)(H,21,22).
What are the key properties of 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid?
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid has a molecular weight of 319.34 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 119219679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).