1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C19H24N4OS — CID 143911345

IUPAC1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCCc1ccc(Sc2cnc(-c3ccn(CC(C)(C)O)n3)n2C)cc1
InChIInChI=1S/C19H24N4OS/c1-5-14-6-8-15(9-7-14)25-17-12-20-18(22(17)4)16-10-11-23(21-16)13-19(2,3)24/h6-12,24H,5,13H2,1-4H3
InChIKeyWZPMCKCSRSOREU-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.77
Rot. Bonds6

About 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 143911345) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID143911345
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCCc1ccc(Sc2cnc(-c3ccn(CC(C)(C)O)n3)n2C)cc1
InChIInChI=1S/C19H24N4OS/c1-5-14-6-8-15(9-7-14)25-17-12-20-18(22(17)4)16-10-11-23(21-16)13-19(2,3)24/h6-12,24H,5,13H2,1-4H3
InChIKeyWZPMCKCSRSOREU-UHFFFAOYSA-N
XLogP3.77
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 143911345) is 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CCc1ccc(Sc2cnc(-c3ccn(CC(C)(C)O)n3)n2C)cc1.
What is the InChIKey of 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is WZPMCKCSRSOREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-5-14-6-8-15(9-7-14)25-17-12-20-18(22(17)4)16-10-11-23(21-16)13-19(2,3)24/h6-12,24H,5,13H2,1-4H3.
What are the key properties of 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 356.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(4-ethylphenyl)sulfanyl-1-methylimidazol-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 143911345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).