1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole

C17H20N4S — CID 96578744

IUPAC1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole
SMILESCC[C@H](c1cnn(C)c1)n1ccnc1-c1ccc(SC)cc1
InChIInChI=1S/C17H20N4S/c1-4-16(14-11-19-20(2)12-14)21-10-9-18-17(21)13-5-7-15(22-3)8-6-13/h5-12,16H,4H2,1-3H3/t16-/m1/s1
InChIKeyRBXZNQTYPUFASX-MRXNPFEDSA-N
MW312.44 g/mol
LogP4.00
Rot. Bonds5

About 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole

1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole (PubChem CID 96578744) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole
PubChem CID96578744
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole
SMILESCC[C@H](c1cnn(C)c1)n1ccnc1-c1ccc(SC)cc1
InChIInChI=1S/C17H20N4S/c1-4-16(14-11-19-20(2)12-14)21-10-9-18-17(21)13-5-7-15(22-3)8-6-13/h5-12,16H,4H2,1-3H3/t16-/m1/s1
InChIKeyRBXZNQTYPUFASX-MRXNPFEDSA-N
XLogP4.00
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]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

2-methyl-6-[1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazol-2-yl]pyridine
CID 96572221
2-(3-chloro-5-fluoro-4-methoxyphenyl)-1-[(1S)-1-(1-methylpyrazol-4-yl)propyl]imidazole
CID 96571891
4-[2-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyridine
CID 56899751
4-(1-methylimidazol-2-yl)-N-[1-(1-methylpyrazol-4-yl)propyl]benzamide
CID 119069701
2-(1-methylpyrazol-4-yl)-2-(4-methylsulfanylphenoxy)ethanamine
CID 63649329
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
1-methyl-4-[(2-phenylimidazol-1-yl)methyl]pyrazole
CID 155917955
1-(1-ethylimidazol-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 65195336
5-[3-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]-2H-tetrazole
CID 56886295
6-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 23629220
N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
1-methyl-4-pent-1-yn-3-ylpyrazole
CID 171526023

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole?
The IUPAC name of 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole (CID 96578744) is 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole?
The canonical SMILES for 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole is CC[C@H](c1cnn(C)c1)n1ccnc1-c1ccc(SC)cc1.
What is the InChIKey of 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole?
The InChIKey is RBXZNQTYPUFASX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N4S/c1-4-16(14-11-19-20(2)12-14)21-10-9-18-17(21)13-5-7-15(22-3)8-6-13/h5-12,16H,4H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole?
1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole has a molecular weight of 312.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1R)-1-[2-(4-methylsulfanylphenyl)imidazol-1-yl]propyl]pyrazole is sourced from PubChem (CID 96578744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).