(3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C20H19FN4O2 — CID 56864270

IUPAC(3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESNc1n[nH]c(C(=O)N2CCOC(c3ccc(F)cc3)C2)c1-c1ccccc1
InChIInChI=1S/C20H19FN4O2/c21-15-8-6-13(7-9-15)16-12-25(10-11-27-16)20(26)18-17(19(22)24-23-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H3,22,23,24)
InChIKeyWNPVGPSBAMECKC-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.01
Rot. Bonds3

About (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone

(3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 56864270) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID56864270
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name(3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESNc1n[nH]c(C(=O)N2CCOC(c3ccc(F)cc3)C2)c1-c1ccccc1
InChIInChI=1S/C20H19FN4O2/c21-15-8-6-13(7-9-15)16-12-25(10-11-27-16)20(26)18-17(19(22)24-23-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H3,22,23,24)
InChIKeyWNPVGPSBAMECKC-UHFFFAOYSA-N
XLogP3.01
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 47023687
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 95714622
[2-(4-fluorophenyl)morpholin-4-yl]-(1-phenyltriazol-4-yl)methanone
CID 56891712
[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 56750315
1-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]-3-phenylurea
CID 46570389
(5-bromothiophen-2-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 42949375
[2-(4-fluorophenyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42949369

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 56864270) is (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is Nc1n[nH]c(C(=O)N2CCOC(c3ccc(F)cc3)C2)c1-c1ccccc1.
What is the InChIKey of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is WNPVGPSBAMECKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-15-8-6-13(7-9-15)16-12-25(10-11-27-16)20(26)18-17(19(22)24-23-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H3,22,23,24).
What are the key properties of (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 366.40 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-phenyl-1H-pyrazol-5-yl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56864270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).