1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol

C13H14Cl2N2O — CID 65318492

IUPAC1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c1-2-13(18)10-6-16-17(8-10)7-9-5-11(14)3-4-12(9)15/h3-6,8,13,18H,2,7H2,1H3
InChIKeyKJUREDGTAHQJFD-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.68
Rot. Bonds4

About 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol

1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol (PubChem CID 65318492) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol
PubChem CID65318492
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1cnn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C13H14Cl2N2O/c1-2-13(18)10-6-16-17(8-10)7-9-5-11(14)3-4-12(9)15/h3-6,8,13,18H,2,7H2,1H3
InChIKeyKJUREDGTAHQJFD-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol (CID 65318492) is 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol is CCC(O)c1cnn(Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
The InChIKey is KJUREDGTAHQJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-2-13(18)10-6-16-17(8-10)7-9-5-11(14)3-4-12(9)15/h3-6,8,13,18H,2,7H2,1H3.
What are the key properties of 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol?
1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol has a molecular weight of 285.17 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 65318492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).