3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide

C21H19FN4O3 — CID 86996526

IUPAC3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H19FN4O3/c22-16-6-4-14(5-7-16)18-13-19(25-24-18)20(27)23-17-3-1-2-15(12-17)21(28)26-8-10-29-11-9-26/h1-7,12-13H,8-11H2,(H,23,27)(H,24,25)
InChIKeyIPRGUWCESYJZQK-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.94
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 86996526) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID86996526
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C21H19FN4O3/c22-16-6-4-14(5-7-16)18-13-19(25-24-18)20(27)23-17-3-1-2-15(12-17)21(28)26-8-10-29-11-9-26/h1-7,12-13H,8-11H2,(H,23,27)(H,24,25)
InChIKeyIPRGUWCESYJZQK-UHFFFAOYSA-N
XLogP2.94
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46964376
N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53087736
N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55868165
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920010
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082885
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 38549380
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide (CID 86996526) is 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IPRGUWCESYJZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c22-16-6-4-14(5-7-16)18-13-19(25-24-18)20(27)23-17-3-1-2-15(12-17)21(28)26-8-10-29-11-9-26/h1-7,12-13H,8-11H2,(H,23,27)(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 86996526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).