3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride

C11H14ClN3O — CID 126966599

IUPAC3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
SMILESCl.Cn1cc(NCc2cccc(O)c2)cn1
InChIInChI=1S/C11H13N3O.ClH/c1-14-8-10(7-13-14)12-6-9-3-2-4-11(15)5-9;/h2-5,7-8,12,15H,6H2,1H3;1H
InChIKeyCJBMJQCQAOUUPF-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.16
Rot. Bonds3

About 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride

3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride (PubChem CID 126966599) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
PubChem CID126966599
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
SMILESCl.Cn1cc(NCc2cccc(O)c2)cn1
InChIInChI=1S/C11H13N3O.ClH/c1-14-8-10(7-13-14)12-6-9-3-2-4-11(15)5-9;/h2-5,7-8,12,15H,6H2,1H3;1H
InChIKeyCJBMJQCQAOUUPF-UHFFFAOYSA-N
XLogP2.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The IUPAC name of 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride (CID 126966599) is 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The canonical SMILES for 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride is Cl.Cn1cc(NCc2cccc(O)c2)cn1.
What is the InChIKey of 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
The InChIKey is CJBMJQCQAOUUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-14-8-10(7-13-14)12-6-9-3-2-4-11(15)5-9;/h2-5,7-8,12,15H,6H2,1H3;1H.
What are the key properties of 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride?
3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-methylpyrazol-4-yl)amino]methyl]phenol;hydrochloride is sourced from PubChem (CID 126966599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).