2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide

C16H20FN3O2 — CID 99630725

IUPAC2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(C)c(C)c1CCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C16H20FN3O2/c1-10-12(11(2)20(3)19-10)6-5-9-18-16(22)15-13(17)7-4-8-14(15)21/h4,7-8,21H,5-6,9H2,1-3H3,(H,18,22)
InChIKeyBHHCBXXVNCBXMA-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.24
Rot. Bonds5

About 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide

2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide (PubChem CID 99630725) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
PubChem CID99630725
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide
SMILESCc1nn(C)c(C)c1CCCNC(=O)c1c(O)cccc1F
InChIInChI=1S/C16H20FN3O2/c1-10-12(11(2)20(3)19-10)6-5-9-18-16(22)15-13(17)7-4-8-14(15)21/h4,7-8,21H,5-6,9H2,1-3H3,(H,18,22)
InChIKeyBHHCBXXVNCBXMA-UHFFFAOYSA-N
XLogP2.24
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.24
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

N-(3-bromopropyl)-2-fluoro-6-hydroxybenzamide
CID 107016848
2-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 86768025
3-fluoro-2-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79231656
N-[3-(diethylamino)propyl]-2-fluoro-6-hydroxybenzamide
CID 104916525
4-[(2-fluoro-6-hydroxybenzoyl)amino]butanoic acid
CID 107013328
2-fluoro-6-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 104916778
3-chloro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110442056
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
3-fluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 110474855
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-(6-bromohexyl)-2-fluoro-6-hydroxybenzamide
CID 114008519
N-(3-ethoxypropyl)-2-fluoro-6-hydroxybenzamide
CID 104916529

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide (CID 99630725) is 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide is Cc1nn(C)c(C)c1CCCNC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
The InChIKey is BHHCBXXVNCBXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10-12(11(2)20(3)19-10)6-5-9-18-16(22)15-13(17)7-4-8-14(15)21/h4,7-8,21H,5-6,9H2,1-3H3,(H,18,22).
What are the key properties of 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide?
2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide has a molecular weight of 305.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]benzamide is sourced from PubChem (CID 99630725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).