1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide

C16H19FN4O3 — CID 126779381

IUPAC1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2nn(-c3ccccc3F)cc2O)C1
InChIInChI=1S/C16H19FN4O3/c1-20-6-7-24-11(9-20)8-18-16(23)15-14(22)10-21(19-15)13-5-3-2-4-12(13)17/h2-5,10-11,22H,6-9H2,1H3,(H,18,23)
InChIKeyBUVMQJRVHFGGEP-UHFFFAOYSA-N
MW334.35 g/mol
LogP0.78
Rot. Bonds4

About 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide

1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 126779381) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID126779381
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
SMILESCN1CCOC(CNC(=O)c2nn(-c3ccccc3F)cc2O)C1
InChIInChI=1S/C16H19FN4O3/c1-20-6-7-24-11(9-20)8-18-16(23)15-14(22)10-21(19-15)13-5-3-2-4-12(13)17/h2-5,10-11,22H,6-9H2,1H3,(H,18,23)
InChIKeyBUVMQJRVHFGGEP-UHFFFAOYSA-N
XLogP0.78
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide
CID 166244486
2-chloro-6-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094194
1-(2-fluorophenyl)-4-hydroxy-N-[(1R,2R)-2-methylcyclopropyl]pyrazole-3-carboxamide
CID 166249034
2-fluoro-3-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 80712225
1-(2-fluorophenyl)-4-hydroxy-N-[(2-methyloxolan-2-yl)methyl]pyrazole-3-carboxamide
CID 126786836
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide (CID 126779381) is 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide is CN1CCOC(CNC(=O)c2nn(-c3ccccc3F)cc2O)C1.
What is the InChIKey of 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is BUVMQJRVHFGGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-20-6-7-24-11(9-20)8-18-16(23)15-14(22)10-21(19-15)13-5-3-2-4-12(13)17/h2-5,10-11,22H,6-9H2,1H3,(H,18,23).
What are the key properties of 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 126779381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).