[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol

C13H12Cl2N2O — CID 66438989

IUPAC[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C13H12Cl2N2O/c14-10-3-4-12(11(15)5-10)17-13(8-1-2-8)9(7-18)6-16-17/h3-6,8,18H,1-2,7H2
InChIKeyILDPLCDOYLBITG-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.55
Rot. Bonds3

About [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol

[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol (PubChem CID 66438989) has the molecular formula C13H12Cl2N2O and a molecular weight of 283.16 g/mol. Its IUPAC name is [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
PubChem CID66438989
Molecular FormulaC13H12Cl2N2O
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C13H12Cl2N2O/c14-10-3-4-12(11(15)5-10)17-13(8-1-2-8)9(7-18)6-16-17/h3-6,8,18H,1-2,7H2
InChIKeyILDPLCDOYLBITG-UHFFFAOYSA-N
XLogP3.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol (CID 66438989) is [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol is OCc1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol?
The InChIKey is ILDPLCDOYLBITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O/c14-10-3-4-12(11(15)5-10)17-13(8-1-2-8)9(7-18)6-16-17/h3-6,8,18H,1-2,7H2.
What are the key properties of [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol?
[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol has a molecular weight of 283.16 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 66438989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).