N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide

C23H23FN4O3 — CID 1068289

IUPACN-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide
SMILESC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)C[C@@H](C)O1
InChIInChI=1S/C23H23FN4O3/c1-15-13-27(14-16(2)31-15)23(30)20-12-25-28(19-9-4-3-5-10-19)21(20)26-22(29)17-7-6-8-18(24)11-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,29)/t15-,16-/m1/s1
InChIKeyUEIKITSCDLGXKO-HZPDHXFCSA-N
MW422.46 g/mol
LogP3.51
Rot. Bonds4

About N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide

N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide (PubChem CID 1068289) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide
PubChem CID1068289
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC NameN-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide
SMILESC[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)C[C@@H](C)O1
InChIInChI=1S/C23H23FN4O3/c1-15-13-27(14-16(2)31-15)23(30)20-12-25-28(19-9-4-3-5-10-19)21(20)26-22(29)17-7-6-8-18(24)11-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,29)/t15-,16-/m1/s1
InChIKeyUEIKITSCDLGXKO-HZPDHXFCSA-N
XLogP3.51
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-benzylpiperidine-1-carbonyl)-1-phenylpyrazol-5-yl]-3-fluorobenzamide
CID 2892347
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
(5-cyclopropyl-1-phenylpyrazol-4-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 51933899
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzamide
CID 42888700
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 30836120
5-[(3-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylic acid
CID 110483243
ethane;5-[(4-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 143258587
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 51935623
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
5-[(3-methylbenzoyl)amino]-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 23909781
2-chloro-N-[4-(morpholine-4-carbonyl)-1-phenylpyrazol-5-yl]benzamide
CID 1067719

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The IUPAC name of N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide (CID 1068289) is N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The canonical SMILES for N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide is C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2cccc(F)c2)C[C@@H](C)O1.
What is the InChIKey of N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
The InChIKey is UEIKITSCDLGXKO-HZPDHXFCSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-15-13-27(14-16(2)31-15)23(30)20-12-25-28(19-9-4-3-5-10-19)21(20)26-22(29)17-7-6-8-18(24)11-17/h3-12,15-16H,13-14H2,1-2H3,(H,26,29)/t15-,16-/m1/s1.
What are the key properties of N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide?
N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide has a molecular weight of 422.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-phenylpyrazol-5-yl]-3-fluorobenzamide is sourced from PubChem (CID 1068289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).