[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol

C20H23ClN2O2 — CID 158250652

IUPAC[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
SMILESCc1cnn(Cc2ccc(CO)cc2)c1.OCc1ccc(CCl)cc1
InChIInChI=1S/C12H14N2O.C8H9ClO/c1-10-6-13-14(7-10)8-11-2-4-12(9-15)5-3-11;9-5-7-1-3-8(6-10)4-2-7/h2-7,15H,8-9H2,1H3;1-4,10H,5-6H2
InChIKeyGGRCUTUXPAMPDI-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.65
Rot. Bonds5

About [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol

[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol (PubChem CID 158250652) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
PubChem CID158250652
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
SMILESCc1cnn(Cc2ccc(CO)cc2)c1.OCc1ccc(CCl)cc1
InChIInChI=1S/C12H14N2O.C8H9ClO/c1-10-6-13-14(7-10)8-11-2-4-12(9-15)5-3-11;9-5-7-1-3-8(6-10)4-2-7/h2-7,15H,8-9H2,1H3;1-4,10H,5-6H2
InChIKeyGGRCUTUXPAMPDI-UHFFFAOYSA-N
XLogP3.65
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole
CID 118871359
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772
[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methanol
CID 55109077
(4-methylpyrazol-1-yl)methanol
CID 7172181
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile
CID 151524660
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol (CID 158250652) is [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol is Cc1cnn(Cc2ccc(CO)cc2)c1.OCc1ccc(CCl)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol?
The InChIKey is GGRCUTUXPAMPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C8H9ClO/c1-10-6-13-14(7-10)8-11-2-4-12(9-15)5-3-11;9-5-7-1-3-8(6-10)4-2-7/h2-7,15H,8-9H2,1H3;1-4,10H,5-6H2.
What are the key properties of [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol?
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol has a molecular weight of 358.87 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 158250652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).