3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole

C23H31N5 — CID 92628720

IUPAC3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole
SMILESCC[C@@H](CN1CCCC1)n1cncc1-c1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C23H31N5/c1-5-20(15-26-12-8-9-13-26)27-16-24-14-22(27)23-18(3)25-28(19(23)4)21-11-7-6-10-17(21)2/h6-7,10-11,14,16,20H,5,8-9,12-13,15H2,1-4H3/t20-/m0/s1
InChIKeyQUBDBBDVSOBXCY-FQEVSTJZSA-N
MW377.54 g/mol
LogP4.71
Rot. Bonds6

About 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole

3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole (PubChem CID 92628720) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole
PubChem CID92628720
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole
SMILESCC[C@@H](CN1CCCC1)n1cncc1-c1c(C)nn(-c2ccccc2C)c1C
InChIInChI=1S/C23H31N5/c1-5-20(15-26-12-8-9-13-26)27-16-24-14-22(27)23-18(3)25-28(19(23)4)21-11-7-6-10-17(21)2/h6-7,10-11,14,16,20H,5,8-9,12-13,15H2,1-4H3/t20-/m0/s1
InChIKeyQUBDBBDVSOBXCY-FQEVSTJZSA-N
XLogP4.71
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole 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

Baz2-icr
CID 91654625
Pmid25719566C7
CID 91827353
5,7-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44547515
5,8-Dimethyl-2-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)(1,2,4)triazolo(1,5-a)pyridine
CID 44547965
5-Ethyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene
CID 44626290
US10399985, Example 16
CID 118278207
1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1Hbenzoimidazole
CID 10064294
10-methyl-9H-benzo[f]imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]diazepine
CID 11514205
1-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)-1H-pyrazole
CID 25025862
dimethyl-{3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-benzoimidazol-1-yl]-propyl}-amine
CID 44408849
US9018217, 5,7-Dimethyl-2-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 44548113
5,8-Dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 44608934

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole?
The IUPAC name of 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole (CID 92628720) is 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole.
What is the SMILES notation for 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole?
The canonical SMILES for 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole is CC[C@@H](CN1CCCC1)n1cncc1-c1c(C)nn(-c2ccccc2C)c1C.
What is the InChIKey of 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole?
The InChIKey is QUBDBBDVSOBXCY-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31N5/c1-5-20(15-26-12-8-9-13-26)27-16-24-14-22(27)23-18(3)25-28(19(23)4)21-11-7-6-10-17(21)2/h6-7,10-11,14,16,20H,5,8-9,12-13,15H2,1-4H3/t20-/m0/s1.
What are the key properties of 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole?
3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole has a molecular weight of 377.54 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-methylphenyl)-4-[3-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]imidazol-4-yl]pyrazole is sourced from PubChem (CID 92628720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).