[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

C20H17ClFN3O2 — CID 42758383

IUPAC[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nn1-c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H17ClFN3O2/c21-15-6-2-4-8-18(15)25-19(20(26)24-9-11-27-12-10-24)13-17(23-25)14-5-1-3-7-16(14)22/h1-8,13H,9-12H2
InChIKeyPVMVNOJGHMLYLJ-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.80
Rot. Bonds3

About [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone

[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 42758383) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID42758383
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccccc2F)nn1-c1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H17ClFN3O2/c21-15-6-2-4-8-18(15)25-19(20(26)24-9-11-27-12-10-24)13-17(23-25)14-5-1-3-7-16(14)22/h1-8,13H,9-12H2
InChIKeyPVMVNOJGHMLYLJ-UHFFFAOYSA-N
XLogP3.80
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 3999491
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 4587876
[1-(3,4-dichlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4679362
[1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazol-5-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 1053641
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42759128
[1-(2-chlorophenyl)-3-phenylpyrazol-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7249326
(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 3945293
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3971984
[1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 3965853
[3-(2-fluorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3687460
ethyl 1-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 3473710
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone (CID 42758383) is [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccccc2F)nn1-c1ccccc1Cl)N1CCOCC1.
What is the InChIKey of [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is PVMVNOJGHMLYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-15-6-2-4-8-18(15)25-19(20(26)24-9-11-27-12-10-24)13-17(23-25)14-5-1-3-7-16(14)22/h1-8,13H,9-12H2.
What are the key properties of [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone?
[1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 385.83 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42758383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).