[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol

C12H13ClN2O — CID 82528154

IUPAC[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol
SMILESCc1c(Cl)cccc1-n1ncc(CO)c1C
InChIInChI=1S/C12H13ClN2O/c1-8-11(13)4-3-5-12(8)15-9(2)10(7-16)6-14-15/h3-6,16H,7H2,1-2H3
InChIKeyHNAAHOQOEWVEEL-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.63
Rot. Bonds2

About [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol

[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol (PubChem CID 82528154) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol
PubChem CID82528154
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol
SMILESCc1c(Cl)cccc1-n1ncc(CO)c1C
InChIInChI=1S/C12H13ClN2O/c1-8-11(13)4-3-5-12(8)15-9(2)10(7-16)6-14-15/h3-6,16H,7H2,1-2H3
InChIKeyHNAAHOQOEWVEEL-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol (CID 82528154) is [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol is Cc1c(Cl)cccc1-n1ncc(CO)c1C.
What is the InChIKey of [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol?
The InChIKey is HNAAHOQOEWVEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-11(13)4-3-5-12(8)15-9(2)10(7-16)6-14-15/h3-6,16H,7H2,1-2H3.
What are the key properties of [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol?
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol has a molecular weight of 236.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 82528154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).