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

C11H10Cl2N2O — CID 62730183

IUPAC[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c12-10-2-1-9(11(13)3-10)6-15-5-8(7-16)4-14-15/h1-5,16H,6-7H2
InChIKeyWZRNJXVVHJDECK-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.73
Rot. Bonds3

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

[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 62730183) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol
PubChem CID62730183
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(Cc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c12-10-2-1-9(11(13)3-10)6-15-5-8(7-16)4-14-15/h1-5,16H,6-7H2
InChIKeyWZRNJXVVHJDECK-UHFFFAOYSA-N
XLogP2.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)pyrazole
CID 114859114
[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 62402021
[1-[(2,4-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400580
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(2-methylpropyl)thiourea
CID 19679381
[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol
CID 62729636
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
4-[[4-(aminomethyl)pyrazol-1-yl]methyl]-3-chlorobenzonitrile
CID 102669740
(1S,2R,6S,7R)-4-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 51852756
[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
CID 55109077
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 62730927
1-cyclohexyl-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]urea
CID 35592061
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19679392

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol (CID 62730183) is [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol is OCc1cnn(Cc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is WZRNJXVVHJDECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-10-2-1-9(11(13)3-10)6-15-5-8(7-16)4-14-15/h1-5,16H,6-7H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol?
[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 257.12 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 62730183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).