1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol

C8H10ClF3N2O — CID 70851800

IUPAC1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
SMILESCCn1nc(C(C)O)c(Cl)c1C(F)(F)F
InChIInChI=1S/C8H10ClF3N2O/c1-3-14-7(8(10,11)12)5(9)6(13-14)4(2)15/h4,15H,3H2,1-2H3
InChIKeyPPBRWQOHZINULV-UHFFFAOYSA-N
MW242.63 g/mol
LogP2.63
Rot. Bonds2

About 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol

1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol (PubChem CID 70851800) has the molecular formula C8H10ClF3N2O and a molecular weight of 242.63 g/mol. Its IUPAC name is 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
PubChem CID70851800
Molecular FormulaC8H10ClF3N2O
Molecular Weight242.63 g/mol
Exact Mass242.04
IUPAC Name1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
SMILESCCn1nc(C(C)O)c(Cl)c1C(F)(F)F
InChIInChI=1S/C8H10ClF3N2O/c1-3-14-7(8(10,11)12)5(9)6(13-14)4(2)15/h4,15H,3H2,1-2H3
InChIKeyPPBRWQOHZINULV-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol?
The IUPAC name of 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol (CID 70851800) is 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol.
What is the SMILES notation for 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol?
The canonical SMILES for 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol is CCn1nc(C(C)O)c(Cl)c1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol?
The InChIKey is PPBRWQOHZINULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N2O/c1-3-14-7(8(10,11)12)5(9)6(13-14)4(2)15/h4,15H,3H2,1-2H3.
What are the key properties of 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol?
1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol has a molecular weight of 242.63 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 70851800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).