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

C11H13N3O — CID 19627553

IUPAC4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1ccc(NCc2ccc(O)cc2)n1
InChIInChI=1S/C11H13N3O/c1-14-7-6-11(13-14)12-8-9-2-4-10(15)5-3-9/h2-7,15H,8H2,1H3,(H,12,13)
InChIKeyJUGJBZYVRJZGAQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.74
Rot. Bonds3

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

4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (PubChem CID 19627553) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
PubChem CID19627553
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol
SMILESCn1ccc(NCc2ccc(O)cc2)n1
InChIInChI=1S/C11H13N3O/c1-14-7-6-11(13-14)12-8-9-2-4-10(15)5-3-9/h2-7,15H,8H2,1H3,(H,12,13)
InChIKeyJUGJBZYVRJZGAQ-UHFFFAOYSA-N
XLogP1.74
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol (CID 19627553) is 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is Cn1ccc(NCc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
The InChIKey is JUGJBZYVRJZGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-7-6-11(13-14)12-8-9-2-4-10(15)5-3-9/h2-7,15H,8H2,1H3,(H,12,13).
What are the key properties of 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol?
4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol has a molecular weight of 203.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylpyrazol-3-yl)amino]methyl]phenol is sourced from PubChem (CID 19627553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).