(3,5-dimethylpyrazol-1-yl)methanol;hydrochloride

C6H11ClN2O — CID 23166942

IUPAC(3,5-dimethylpyrazol-1-yl)methanol;hydrochloride
SMILESCc1cc(C)n(CO)n1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-5-3-6(2)8(4-9)7-5;/h3,9H,4H2,1-2H3;1H
InChIKeyDLGMQZRYWBFVKO-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.87
Rot. Bonds1

About (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride

(3,5-dimethylpyrazol-1-yl)methanol;hydrochloride (PubChem CID 23166942) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)methanol;hydrochloride
PubChem CID23166942
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name(3,5-dimethylpyrazol-1-yl)methanol;hydrochloride
SMILESCc1cc(C)n(CO)n1.Cl
InChIInChI=1S/C6H10N2O.ClH/c1-5-3-6(2)8(4-9)7-5;/h3,9H,4H2,1-2H3;1H
InChIKeyDLGMQZRYWBFVKO-UHFFFAOYSA-N
XLogP0.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride (CID 23166942) is (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride is Cc1cc(C)n(CO)n1.Cl.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride?
The InChIKey is DLGMQZRYWBFVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c1-5-3-6(2)8(4-9)7-5;/h3,9H,4H2,1-2H3;1H.
What are the key properties of (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride?
(3,5-dimethylpyrazol-1-yl)methanol;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)methanol;hydrochloride is sourced from PubChem (CID 23166942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).