2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide

C12H13FN4O2 — CID 112606480

IUPAC2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2cccc(F)c2O)cn1
InChIInChI=1S/C12H13FN4O2/c13-10-3-1-2-8(12(10)19)4-15-9-5-16-17(6-9)7-11(14)18/h1-3,5-6,15,19H,4,7H2,(H2,14,18)
InChIKeyQLZNSUYQAZEODN-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.83
Rot. Bonds5

About 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 112606480) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
PubChem CID112606480
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NCc2cccc(F)c2O)cn1
InChIInChI=1S/C12H13FN4O2/c13-10-3-1-2-8(12(10)19)4-15-9-5-16-17(6-9)7-11(14)18/h1-3,5-6,15,19H,4,7H2,(H2,14,18)
InChIKeyQLZNSUYQAZEODN-UHFFFAOYSA-N
XLogP0.83
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-(1,3-benzodioxol-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 43695077
2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 61263067
2-[4-(quinolin-4-ylmethylamino)pyrazol-1-yl]acetamide
CID 63868237
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43783591
2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695324
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60873892
2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 62761635

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide (CID 112606480) is 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NCc2cccc(F)c2O)cn1.
What is the InChIKey of 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is QLZNSUYQAZEODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-10-3-1-2-8(12(10)19)4-15-9-5-16-17(6-9)7-11(14)18/h1-3,5-6,15,19H,4,7H2,(H2,14,18).
What are the key properties of 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 264.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 112606480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).