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

C13H11ClF3N3O — CID 66436146

IUPAC[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C1CC1
InChIInChI=1S/C13H11ClF3N3O/c14-10-3-9(13(15,16)17)5-18-12(10)20-11(7-1-2-7)8(6-21)4-19-20/h3-5,7,21H,1-2,6H2
InChIKeyBROBUCDTSOQXCT-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.31
Rot. Bonds3

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

[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol (PubChem CID 66436146) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol
PubChem CID66436146
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C1CC1
InChIInChI=1S/C13H11ClF3N3O/c14-10-3-9(13(15,16)17)5-18-12(10)20-11(7-1-2-7)8(6-21)4-19-20/h3-5,7,21H,1-2,6H2
InChIKeyBROBUCDTSOQXCT-UHFFFAOYSA-N
XLogP3.31
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-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 [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol (CID 66436146) is [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol is OCc1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1C1CC1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol?
The InChIKey is BROBUCDTSOQXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c14-10-3-9(13(15,16)17)5-18-12(10)20-11(7-1-2-7)8(6-21)4-19-20/h3-5,7,21H,1-2,6H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol?
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol has a molecular weight of 317.70 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-cyclopropylpyrazol-4-yl]methanol is sourced from PubChem (CID 66436146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).