1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone

C22H28N4O2 — CID 42844693

IUPAC1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCOCC3)C(c3cccn3C)C2)cc1C
InChIInChI=1S/C22H28N4O2/c1-16-6-7-18(13-17(16)2)19-14-21(20-5-4-8-24(20)3)26(23-19)22(27)15-25-9-11-28-12-10-25/h4-8,13,21H,9-12,14-15H2,1-3H3
InChIKeyJQLZXUDMXCGJFS-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.65
Rot. Bonds4

About 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone

1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (PubChem CID 42844693) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
PubChem CID42844693
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(C2=NN(C(=O)CN3CCOCC3)C(c3cccn3C)C2)cc1C
InChIInChI=1S/C22H28N4O2/c1-16-6-7-18(13-17(16)2)19-14-21(20-5-4-8-24(20)3)26(23-19)22(27)15-25-9-11-28-12-10-25/h4-8,13,21H,9-12,14-15H2,1-3H3
InChIKeyJQLZXUDMXCGJFS-UHFFFAOYSA-N
XLogP2.65
TPSA50.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-(4-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93226642
1-[(3R)-3-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93227150
2-(4-acetylpiperazin-1-yl)-1-[5-(3,4-dimethylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 46030066
1-[(3R)-3-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 93229069
1-[5-(4-fluorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46154154
1-[(3R)-3-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 93229071
1-[(3R)-3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93228457
1-[(3S)-3-(2-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93228456
N-[2-[(3S)-5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 93132016
1-[(3R)-5-(3,4-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 93226992
1-[(3S)-3-(2-fluorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93229901
N-[2-[(3R)-3-(2-chlorophenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
CID 93131999

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone (CID 42844693) is 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is Cc1ccc(C2=NN(C(=O)CN3CCOCC3)C(c3cccn3C)C2)cc1C.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
The InChIKey is JQLZXUDMXCGJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-6-7-18(13-17(16)2)19-14-21(20-5-4-8-24(20)3)26(23-19)22(27)15-25-9-11-28-12-10-25/h4-8,13,21H,9-12,14-15H2,1-3H3.
What are the key properties of 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone?
1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone has a molecular weight of 380.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 42844693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).