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

C14H19ClN2O2 — CID 115813255

IUPAC2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)c1cc(C)oc1C
InChIInChI=1S/C14H19ClN2O2/c1-5-17-12(14(15)9(3)16-17)7-13(18)11-6-8(2)19-10(11)4/h6,13,18H,5,7H2,1-4H3
InChIKeyKVFBJZMDBJLYDW-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.35
Rot. Bonds4

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

2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol (PubChem CID 115813255) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
PubChem CID115813255
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
SMILESCCn1nc(C)c(Cl)c1CC(O)c1cc(C)oc1C
InChIInChI=1S/C14H19ClN2O2/c1-5-17-12(14(15)9(3)16-17)7-13(18)11-6-8(2)19-10(11)4/h6,13,18H,5,7H2,1-4H3
InChIKeyKVFBJZMDBJLYDW-UHFFFAOYSA-N
XLogP3.35
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol 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-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 104998793
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969729
1-(2,5-dimethylfuran-3-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 115816374
1-(2-amino-5-bromophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 82703409
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105107414
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105001407
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-(3-ethylimidazol-4-yl)ethanol
CID 66134956
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408089
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3-thiazol-2-yl)ethanol
CID 113373073
3-[2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-hydroxyethyl]benzonitrile
CID 115481077
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3-ethylthiophen-2-yl)ethanol
CID 115813406

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol?
The IUPAC name of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol (CID 115813255) is 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol?
The canonical SMILES for 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol is CCn1nc(C)c(Cl)c1CC(O)c1cc(C)oc1C.
What is the InChIKey of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol?
The InChIKey is KVFBJZMDBJLYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-5-17-12(14(15)9(3)16-17)7-13(18)11-6-8(2)19-10(11)4/h6,13,18H,5,7H2,1-4H3.
What are the key properties of 2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol?
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,5-dimethylfuran-3-yl)ethanol has a molecular weight of 282.77 g/mol, XLogP of 3.35, 4 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-(2,5-dimethylfuran-3-yl)ethanol is sourced from PubChem (CID 115813255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).