[5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol

C17H20Cl2N2O2 — CID 58907200

IUPAC[5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol
SMILESCC(C)=Cc1c(CO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H20Cl2N2O2/c1-10(2)5-15-16(9-22)20-21(11(3)4)17(15)23-14-7-12(18)6-13(19)8-14/h5-8,11,22H,9H2,1-4H3
InChIKeyCVEDYSFVCBQRDZ-UHFFFAOYSA-N
MW355.27 g/mol
LogP5.48
Rot. Bonds5

About [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol

[5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol (PubChem CID 58907200) has the molecular formula C17H20Cl2N2O2 and a molecular weight of 355.27 g/mol. Its IUPAC name is [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol
PubChem CID58907200
Molecular FormulaC17H20Cl2N2O2
Molecular Weight355.27 g/mol
Exact Mass354.09
IUPAC Name[5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol
SMILESCC(C)=Cc1c(CO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H20Cl2N2O2/c1-10(2)5-15-16(9-22)20-21(11(3)4)17(15)23-14-7-12(18)6-13(19)8-14/h5-8,11,22H,9H2,1-4H3
InChIKeyCVEDYSFVCBQRDZ-UHFFFAOYSA-N
XLogP5.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-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-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol?
The IUPAC name of [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol (CID 58907200) is [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol.
What is the SMILES notation for [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol?
The canonical SMILES for [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol is CC(C)=Cc1c(CO)nn(C(C)C)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol?
The InChIKey is CVEDYSFVCBQRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2/c1-10(2)5-15-16(9-22)20-21(11(3)4)17(15)23-14-7-12(18)6-13(19)8-14/h5-8,11,22H,9H2,1-4H3.
What are the key properties of [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol?
[5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol has a molecular weight of 355.27 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenoxy)-4-(2-methylprop-1-enyl)-1-propan-2-ylpyrazol-3-yl]methanol is sourced from PubChem (CID 58907200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).