3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide

C16H19FN4O2 — CID 138998487

IUPAC3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccn1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C16H19FN4O2/c17-14-12-13(2-3-15(14)20-8-10-23-11-9-20)16(22)18-5-7-21-6-1-4-19-21/h1-4,6,12H,5,7-11H2,(H,18,22)
InChIKeyYHAOJULFICMQKI-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.29
Rot. Bonds5

About 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide

3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 138998487) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID138998487
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccn1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C16H19FN4O2/c17-14-12-13(2-3-15(14)20-8-10-23-11-9-20)16(22)18-5-7-21-6-1-4-19-21/h1-4,6,12H,5,7-11H2,(H,18,22)
InChIKeyYHAOJULFICMQKI-UHFFFAOYSA-N
XLogP1.29
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-fluoro-4-morpholin-4-ylbenzoyl)amino]acetic acid
CID 119350129
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405
3-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]-4-morpholin-4-ylbenzamide
CID 111107185
3,4-dihydroxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 103956702
3-fluoro-4-morpholin-4-yl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]benzamide
CID 139007780
N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide
CID 26340845
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648
4-(2-pyrazol-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113385006
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 25276442
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide (CID 138998487) is 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide is O=C(NCCn1cccn1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is YHAOJULFICMQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-14-12-13(2-3-15(14)20-8-10-23-11-9-20)16(22)18-5-7-21-6-1-4-19-21/h1-4,6,12H,5,7-11H2,(H,18,22).
What are the key properties of 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide?
3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 318.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-morpholin-4-yl-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 138998487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).