3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide

C15H18FN3O2 — CID 111543227

IUPAC3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C15H18FN3O2/c1-15(2,21)10-18(3)14(20)11-5-6-13(12(16)9-11)19-8-4-7-17-19/h4-9,21H,10H2,1-3H3
InChIKeyOCUANKKRKSJAEA-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.85
Rot. Bonds4

About 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide

3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide (PubChem CID 111543227) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide
PubChem CID111543227
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C15H18FN3O2/c1-15(2,21)10-18(3)14(20)11-5-6-13(12(16)9-11)19-8-4-7-17-19/h4-9,21H,10H2,1-3H3
InChIKeyOCUANKKRKSJAEA-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-3-fluoro-N-methyl-4-pyrazol-1-ylbenzamide
CID 167974748
4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385577
(NZ)-N-[1-(3-fluoro-4-pyrazol-1-ylphenyl)ethylidene]hydroxylamine
CID 94830259
3-[2-fluoro-4-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]phenyl]prop-2-enoic acid
CID 79379527
2-(3-fluoro-4-pyrazol-1-ylphenyl)-2-methylpropan-1-ol
CID 117340384
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
(3-fluoro-4-pyrazol-1-ylphenyl)-piperazin-1-ylmethanone
CID 122135997
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79384071
5-[(3-fluoro-4-pyrazol-1-ylbenzoyl)amino]thiophene-3-carboxylic acid
CID 139010552

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide (CID 111543227) is 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide is CN(CC(C)(C)O)C(=O)c1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide?
The InChIKey is OCUANKKRKSJAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-15(2,21)10-18(3)14(20)11-5-6-13(12(16)9-11)19-8-4-7-17-19/h4-9,21H,10H2,1-3H3.
What are the key properties of 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide?
3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide has a molecular weight of 291.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 111543227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).