[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol

C17H13Cl2FN2O — CID 59694381

IUPAC[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2Cl)n[nH]c1Cc1ccc(F)cc1
InChIInChI=1S/C17H13Cl2FN2O/c18-11-3-6-13(15(19)8-11)17-14(9-23)16(21-22-17)7-10-1-4-12(20)5-2-10/h1-6,8,23H,7,9H2,(H,21,22)
InChIKeyBKNCBBLSYLJBLH-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.61
Rot. Bonds4

About [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol

[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol (PubChem CID 59694381) has the molecular formula C17H13Cl2FN2O and a molecular weight of 351.21 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
PubChem CID59694381
Molecular FormulaC17H13Cl2FN2O
Molecular Weight351.21 g/mol
Exact Mass350.04
IUPAC Name[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol
SMILESOCc1c(-c2ccc(Cl)cc2Cl)n[nH]c1Cc1ccc(F)cc1
InChIInChI=1S/C17H13Cl2FN2O/c18-11-3-6-13(15(19)8-11)17-14(9-23)16(21-22-17)7-10-1-4-12(20)5-2-10/h1-6,8,23H,7,9H2,(H,21,22)
InChIKeyBKNCBBLSYLJBLH-UHFFFAOYSA-N
XLogP4.61
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol?
The IUPAC name of [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol (CID 59694381) is [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol?
The canonical SMILES for [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol is OCc1c(-c2ccc(Cl)cc2Cl)n[nH]c1Cc1ccc(F)cc1.
What is the InChIKey of [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol?
The InChIKey is BKNCBBLSYLJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O/c18-11-3-6-13(15(19)8-11)17-14(9-23)16(21-22-17)7-10-1-4-12(20)5-2-10/h1-6,8,23H,7,9H2,(H,21,22).
What are the key properties of [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol?
[3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol has a molecular weight of 351.21 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl]methanol is sourced from PubChem (CID 59694381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).