1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol

C15H18Cl2N2O — CID 107309902

IUPAC1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(Cc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C15H18Cl2N2O/c1-4-13(20)14-9(2)18-19(10(14)3)8-11-6-5-7-12(16)15(11)17/h5-7,13,20H,4,8H2,1-3H3
InChIKeySTQUVSUDTSKYAB-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.30
Rot. Bonds4

About 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol

1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol (PubChem CID 107309902) has the molecular formula C15H18Cl2N2O and a molecular weight of 313.23 g/mol. Its IUPAC name is 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
PubChem CID107309902
Molecular FormulaC15H18Cl2N2O
Molecular Weight313.23 g/mol
Exact Mass312.08
IUPAC Name1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
SMILESCCC(O)c1c(C)nn(Cc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C15H18Cl2N2O/c1-4-13(20)14-9(2)18-19(10(14)3)8-11-6-5-7-12(16)15(11)17/h5-7,13,20H,4,8H2,1-3H3
InChIKeySTQUVSUDTSKYAB-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 107306870
1-[(3-chloro-2-fluorophenyl)methyl]-4-(1-chloropropyl)-3,5-dimethylpyrazole
CID 102859568
1-[3,5-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-ol
CID 82871315
1-[1-[(4-fluoro-2-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 114349039
1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 62730646
1-[1-[(4-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 62730540
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol
CID 62732173
1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
CID 107091792
1-[3,5-dimethyl-1-(2-phenylsulfanylethyl)pyrazol-4-yl]propan-1-ol
CID 79227689
1-[3,5-dimethyl-1-(2-methylbutyl)pyrazol-4-yl]propan-1-ol
CID 62730904
1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 62729737
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-pentan-3-ylpyrazole-4-carboxamide
CID 2121968

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol (CID 107309902) is 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol is CCC(O)c1c(C)nn(Cc2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
The InChIKey is STQUVSUDTSKYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O/c1-4-13(20)14-9(2)18-19(10(14)3)8-11-6-5-7-12(16)15(11)17/h5-7,13,20H,4,8H2,1-3H3.
What are the key properties of 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol?
1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol has a molecular weight of 313.23 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 107309902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).