1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

C15H18ClFN2OS — CID 66053066

IUPAC1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCCn1nc(C)c(Cl)c1CC(O)CSc1ccccc1F
InChIInChI=1S/C15H18ClFN2OS/c1-3-19-13(15(16)10(2)18-19)8-11(20)9-21-14-7-5-4-6-12(14)17/h4-7,11,20H,3,8-9H2,1-2H3
InChIKeySDSPRQYXIMPVSF-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.70
Rot. Bonds6

About 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol

1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66053066) has the molecular formula C15H18ClFN2OS and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66053066
Molecular FormulaC15H18ClFN2OS
Molecular Weight328.84 g/mol
Exact Mass328.08
IUPAC Name1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
SMILESCCn1nc(C)c(Cl)c1CC(O)CSc1ccccc1F
InChIInChI=1S/C15H18ClFN2OS/c1-3-19-13(15(16)10(2)18-19)8-11(20)9-21-14-7-5-4-6-12(14)17/h4-7,11,20H,3,8-9H2,1-2H3
InChIKeySDSPRQYXIMPVSF-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-ol
CID 65868450
1-(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-ol
CID 65870602
4-Chloro-1,3-diethyl-5-[(2-fluorophenyl)sulfinylmethyl]pyrazole
CID 65886545
4-Chloro-1,3-diethyl-5-[(4-fluorophenyl)sulfinylmethyl]pyrazole
CID 65886935
1-(4-Chloro-1,3-diethylpyrazol-5-yl)-3-(4-fluorophenyl)propan-2-ol
CID 65887215
1-(4-Chloro-1,3-diethylpyrazol-5-yl)-3-(3-fluorophenyl)propan-2-ol
CID 65887993
1-(4-Chloro-1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)propan-2-ol
CID 65888384
1-(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)propan-2-ol
CID 65899140
1-(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2,4-difluorophenyl)propan-2-ol
CID 65900925
1-(2-Fluorophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 66051329
1-(4-Chloro-1,3-dimethylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051714
1-(4-Bromo-1,3-dimethylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 66051715

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol (CID 66053066) is 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is CCn1nc(C)c(Cl)c1CC(O)CSc1ccccc1F.
What is the InChIKey of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is SDSPRQYXIMPVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2OS/c1-3-19-13(15(16)10(2)18-19)8-11(20)9-21-14-7-5-4-6-12(14)17/h4-7,11,20H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol?
1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 328.84 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66053066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).