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

C15H18ClFN2OS — CID 66071376

IUPAC1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESCCc1nn(C)c(CC(O)CSc2ccc(F)cc2)c1Cl
InChIInChI=1S/C15H18ClFN2OS/c1-3-13-15(16)14(19(2)18-13)8-11(20)9-21-12-6-4-10(17)5-7-12/h4-7,11,20H,3,8-9H2,1-2H3
InChIKeyQSFMQWZHIJPAHP-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.47
Rot. Bonds6

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

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (PubChem CID 66071376) has the molecular formula C15H18ClFN2OS and a molecular weight of 328.84 g/mol. Its IUPAC name is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
PubChem CID66071376
Molecular FormulaC15H18ClFN2OS
Molecular Weight328.84 g/mol
Exact Mass328.08
IUPAC Name1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
SMILESCCc1nn(C)c(CC(O)CSc2ccc(F)cc2)c1Cl
InChIInChI=1S/C15H18ClFN2OS/c1-3-13-15(16)14(19(2)18-13)8-11(20)9-21-12-6-4-10(17)5-7-12/h4-7,11,20H,3,8-9H2,1-2H3
InChIKeyQSFMQWZHIJPAHP-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-amine
CID 66072518
1-(2-amino-5-fluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 82684546
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 66051535
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3-chlorophenyl)sulfanylpropan-2-amine
CID 66145999
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(3-fluorophenyl)sulfanylpropan-2-ol
CID 66070826
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 81299680
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927690
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105390
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79047030
1-(3-bromofuran-2-yl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106886384
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-amine
CID 104998510

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol (CID 66071376) is 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is CCc1nn(C)c(CC(O)CSc2ccc(F)cc2)c1Cl.
What is the InChIKey of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
The InChIKey is QSFMQWZHIJPAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2OS/c1-3-13-15(16)14(19(2)18-13)8-11(20)9-21-12-6-4-10(17)5-7-12/h4-7,11,20H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol?
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol has a molecular weight of 328.84 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(4-fluorophenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66071376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).