1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone

C27H35N3O2 — CID 42845070

IUPAC1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCc1ccc(C)c(C2=NN(C(=O)CN3CC(C)OC(C)C3)C(c3cc(C)ccc3C)C2)c1
InChIInChI=1S/C27H35N3O2/c1-17-7-9-19(3)23(11-17)25-13-26(24-12-18(2)8-10-20(24)4)30(28-25)27(31)16-29-14-21(5)32-22(6)15-29/h7-12,21-22,26H,13-16H2,1-6H3
InChIKeyCZMXKNISGQYBDJ-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.71
Rot. Bonds4

About 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone

1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 42845070) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID42845070
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCc1ccc(C)c(C2=NN(C(=O)CN3CC(C)OC(C)C3)C(c3cc(C)ccc3C)C2)c1
InChIInChI=1S/C27H35N3O2/c1-17-7-9-19(3)23(11-17)25-13-26(24-12-18(2)8-10-20(24)4)30(28-25)27(31)16-29-14-21(5)32-22(6)15-29/h7-12,21-22,26H,13-16H2,1-6H3
InChIKeyCZMXKNISGQYBDJ-UHFFFAOYSA-N
XLogP4.71
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone 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

2-(4-benzylpiperazin-1-yl)-1-[(3R)-3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 93229207
1-[5-(2-chlorophenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 42845105
1-[5-(2,4-dimethylphenyl)-3-(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46031158
1-[(3R)-3-(2,5-dimethylphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ylethanone
CID 93229069
1-[5-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 42845213
1-[3-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 42844652
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-(4-chlorophenyl)-5-(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 93229561
ethyl (3S)-1-[2-[(3R)-5-(2,5-dimethylphenyl)-3-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxylate
CID 98632365
1-[(3R)-5-(2,5-dimethylphenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-ethylpiperazin-1-yl)ethanone
CID 93229825
1-[(3S)-3-(4-chlorophenyl)-5-(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-piperidin-1-ylethanone
CID 93229562
1-[(3R)-3-(2-chlorophenyl)-5-(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 93227828

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone (CID 42845070) is 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone is Cc1ccc(C)c(C2=NN(C(=O)CN3CC(C)OC(C)C3)C(c3cc(C)ccc3C)C2)c1.
What is the InChIKey of 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is CZMXKNISGQYBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-17-7-9-19(3)23(11-17)25-13-26(24-12-18(2)8-10-20(24)4)30(28-25)27(31)16-29-14-21(5)32-22(6)15-29/h7-12,21-22,26H,13-16H2,1-6H3.
What are the key properties of 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone?
1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 433.60 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2,5-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 42845070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).