[5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

C12H11ClF3N3O — CID 43333631

IUPAC[5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCCc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO
InChIInChI=1S/C12H11ClF3N3O/c1-2-9-8(6-20)11(13)19(18-9)10-4-3-7(5-17-10)12(14,15)16/h3-5,20H,2,6H2,1H3
InChIKeyPLPKXXWRWQWXQD-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.99
Rot. Bonds3

About [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol

[5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (PubChem CID 43333631) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
PubChem CID43333631
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name[5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol
SMILESCCc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO
InChIInChI=1S/C12H11ClF3N3O/c1-2-9-8(6-20)11(13)19(18-9)10-4-3-7(5-17-10)12(14,15)16/h3-5,20H,2,6H2,1H3
InChIKeyPLPKXXWRWQWXQD-UHFFFAOYSA-N
XLogP2.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol (CID 43333631) is [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is CCc1nn(-c2ccc(C(F)(F)F)cn2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
The InChIKey is PLPKXXWRWQWXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c1-2-9-8(6-20)11(13)19(18-9)10-4-3-7(5-17-10)12(14,15)16/h3-5,20H,2,6H2,1H3.
What are the key properties of [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol?
[5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol has a molecular weight of 305.69 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-ethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 43333631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).