2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide

C17H20FN5O4 — CID 166244486

IUPAC2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2CN(C(N)=O)CCO2)n1
InChIInChI=1S/C17H20FN5O4/c1-10-6-11(18)2-3-13(10)23-9-14(24)15(21-23)16(25)20-7-12-8-22(17(19)26)4-5-27-12/h2-3,6,9,12,24H,4-5,7-8H2,1H3,(H2,19,26)(H,20,25)
InChIKeyZFODZOXPBGFAFZ-UHFFFAOYSA-N
MW377.38 g/mol
LogP0.53
Rot. Bonds4

About 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide

2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide (PubChem CID 166244486) has the molecular formula C17H20FN5O4 and a molecular weight of 377.38 g/mol. Its IUPAC name is 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide
PubChem CID166244486
Molecular FormulaC17H20FN5O4
Molecular Weight377.38 g/mol
Exact Mass377.15
IUPAC Name2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide
SMILESCc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2CN(C(N)=O)CCO2)n1
InChIInChI=1S/C17H20FN5O4/c1-10-6-11(18)2-3-13(10)23-9-14(24)15(21-23)16(25)20-7-12-8-22(17(19)26)4-5-27-12/h2-3,6,9,12,24H,4-5,7-8H2,1H3,(H2,19,26)(H,20,25)
InChIKeyZFODZOXPBGFAFZ-UHFFFAOYSA-N
XLogP0.53
TPSA122.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-fluorophenyl)-4-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
CID 126779381
N-(3-aminobutyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carboxamide
CID 119498479
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]pyrazole-3-carboxamide
CID 111911950
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545926
1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-[(2R)-3-hydroxy-2-[(3R)-oxolan-3-yl]propyl]pyrazole-3-carboxamide
CID 100644712
[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492285
N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 86787736
N-(3-amino-4-methylpentyl)-1-(4-fluoro-2-methylphenyl)-4-hydroxy-N-methylpyrazole-3-carboxamide
CID 119660352
[(3S,4R)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazol-3-yl]methanone
CID 166342227
2-[[(7-chloro-4-oxochromene-2-carbonyl)amino]methyl]morpholine-4-carboxamide
CID 166244484
5-[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]-1H-indazole-3-carboxylic acid
CID 167802563
(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933722

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide (CID 166244486) is 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide is Cc1cc(F)ccc1-n1cc(O)c(C(=O)NCC2CN(C(N)=O)CCO2)n1.
What is the InChIKey of 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide?
The InChIKey is ZFODZOXPBGFAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O4/c1-10-6-11(18)2-3-13(10)23-9-14(24)15(21-23)16(25)20-7-12-8-22(17(19)26)4-5-27-12/h2-3,6,9,12,24H,4-5,7-8H2,1H3,(H2,19,26)(H,20,25).
What are the key properties of 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide?
2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(4-fluoro-2-methylphenyl)-4-hydroxypyrazole-3-carbonyl]amino]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 166244486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).