2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol

C14H19ClN2OS — CID 115813406

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C14H19ClN2OS/c1-4-10-6-7-19-14(10)12(18)8-11-13(15)9(3)16-17(11)5-2/h6-7,12,18H,4-5,8H2,1-3H3
InChIKeyFXXXQMNFNQFMBB-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.76
Rot. Bonds5

About 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol (PubChem CID 115813406) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
PubChem CID115813406
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
SMILESCCc1ccsc1C(O)Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C14H19ClN2OS/c1-4-10-6-7-19-14(10)12(18)8-11-13(15)9(3)16-17(11)5-2/h6-7,12,18H,4-5,8H2,1-3H3
InChIKeyFXXXQMNFNQFMBB-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105107414
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408089
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115816341
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
CID 113373073
N-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 104998837
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969729
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134956
2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976014
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 115813288
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 115813255
1-(2-amino-5-bromophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 82703409
1-(3-ethylthiophen-2-yl)-2-phenylethanol
CID 79975807

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol (CID 115813406) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol is CCc1ccsc1C(O)Cc1c(Cl)c(C)nn1CC.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol?
The InChIKey is FXXXQMNFNQFMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c1-4-10-6-7-19-14(10)12(18)8-11-13(15)9(3)16-17(11)5-2/h6-7,12,18H,4-5,8H2,1-3H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol has a molecular weight of 298.84 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 115813406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).