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

C21H23ClN4O2 — CID 3587198

IUPAC[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3cccn3C)nn2-c2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C21H23ClN4O2/c1-14-12-25(13-15(2)28-14)21(27)20-11-18(19-8-5-9-24(19)3)23-26(20)17-7-4-6-16(22)10-17/h4-11,14-15H,12-13H2,1-3H3
InChIKeyFWUPHIYUTDCSJJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.78
Rot. Bonds3

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

[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 3587198) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID3587198
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3cccn3C)nn2-c2cccc(Cl)c2)CC(C)O1
InChIInChI=1S/C21H23ClN4O2/c1-14-12-25(13-15(2)28-14)21(27)20-11-18(19-8-5-9-24(19)3)23-26(20)17-7-4-6-16(22)10-17/h4-11,14-15H,12-13H2,1-3H3
InChIKeyFWUPHIYUTDCSJJ-UHFFFAOYSA-N
XLogP3.78
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-morpholin-4-ylmethanone
CID 42758831
[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-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499176
1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-propan-2-ylpyrazole-5-carboxamide
CID 42758823
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3953620
(2,6-dimethylmorpholin-4-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 5233267
1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-pentylpyrazole-5-carboxamide
CID 4301084
[1-(4-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3579029
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
[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
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(3-methylphenyl)-3-thiophen-2-ylpyrazol-5-yl]methanone
CID 7494836

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 3587198) is [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3cccn3C)nn2-c2cccc(Cl)c2)CC(C)O1.
What is the InChIKey of [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is FWUPHIYUTDCSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-14-12-25(13-15(2)28-14)21(27)20-11-18(19-8-5-9-24(19)3)23-26(20)17-7-4-6-16(22)10-17/h4-11,14-15H,12-13H2,1-3H3.
What are the key properties of [1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 398.89 g/mol, XLogP of 3.78, 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-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 3587198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).