[1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol

C17H19ClN2O — CID 178148755

IUPAC[1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol
SMILESC=Cc1c(CO)nn(Cc2ccccc2Cl)c1C=C(C)C
InChIInChI=1S/C17H19ClN2O/c1-4-14-16(11-21)19-20(17(14)9-12(2)3)10-13-7-5-6-8-15(13)18/h4-9,21H,1,10-11H2,2-3H3
InChIKeyWKWKXKNJJCILCZ-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.14
Rot. Bonds5

About [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol

[1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol (PubChem CID 178148755) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol
PubChem CID178148755
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name[1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol
SMILESC=Cc1c(CO)nn(Cc2ccccc2Cl)c1C=C(C)C
InChIInChI=1S/C17H19ClN2O/c1-4-14-16(11-21)19-20(17(14)9-12(2)3)10-13-7-5-6-8-15(13)18/h4-9,21H,1,10-11H2,2-3H3
InChIKeyWKWKXKNJJCILCZ-UHFFFAOYSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol (CID 178148755) is [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol is C=Cc1c(CO)nn(Cc2ccccc2Cl)c1C=C(C)C.
What is the InChIKey of [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol?
The InChIKey is WKWKXKNJJCILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-4-14-16(11-21)19-20(17(14)9-12(2)3)10-13-7-5-6-8-15(13)18/h4-9,21H,1,10-11H2,2-3H3.
What are the key properties of [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol?
[1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol has a molecular weight of 302.81 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chlorophenyl)methyl]-4-ethenyl-5-(2-methylprop-1-enyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 178148755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).