[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

C21H22ClN3O3 — CID 7499176

IUPAC[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)n(-c3cccc(Cl)c3)n2)o1
InChIInChI=1S/C21H22ClN3O3/c1-13-7-8-20(28-13)18-10-19(21(26)24-11-14(2)27-15(3)12-24)25(23-18)17-6-4-5-16(22)9-17/h4-10,14-15H,11-12H2,1-3H3/t14-,15-/m0/s1
InChIKeySBUUNNCCLGJAKU-GJZGRUSLSA-N
MW399.88 g/mol
LogP4.34
Rot. Bonds3

About [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone

[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 7499176) has the molecular formula C21H22ClN3O3 and a molecular weight of 399.88 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID7499176
Molecular FormulaC21H22ClN3O3
Molecular Weight399.88 g/mol
Exact Mass399.13
IUPAC Name[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)n(-c3cccc(Cl)c3)n2)o1
InChIInChI=1S/C21H22ClN3O3/c1-13-7-8-20(28-13)18-10-19(21(26)24-11-14(2)27-15(3)12-24)25(23-18)17-6-4-5-16(22)9-17/h4-10,14-15H,11-12H2,1-3H3/t14-,15-/m0/s1
InChIKeySBUUNNCCLGJAKU-GJZGRUSLSA-N
XLogP4.34
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499175
[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3587198
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3926868
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42761965
(2,6-dimethylmorpholin-4-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 5233267
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 812317
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 3297347
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3953620
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494836
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053517
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494838
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone (CID 7499176) is [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is Cc1ccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)n(-c3cccc(Cl)c3)n2)o1.
What is the InChIKey of [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is SBUUNNCCLGJAKU-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H22ClN3O3/c1-13-7-8-20(28-13)18-10-19(21(26)24-11-14(2)27-15(3)12-24)25(23-18)17-6-4-5-16(22)9-17/h4-10,14-15H,11-12H2,1-3H3/t14-,15-/m0/s1.
What are the key properties of [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone?
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 399.88 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 7499176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).