4-[4-(methyliminomethyl)pyrazol-1-yl]phenol

C11H11N3O — CID 123917527

IUPAC4-[4-(methyliminomethyl)pyrazol-1-yl]phenol
SMILESC/N=C/c1cnn(-c2ccc(O)cc2)c1
InChIInChI=1S/C11H11N3O/c1-12-6-9-7-13-14(8-9)10-2-4-11(15)5-3-10/h2-8,15H,1H3/b12-6+
InChIKeyBDXCYQVLBFFVPM-WUXMJOGZSA-N
MW201.23 g/mol
LogP1.63
Rot. Bonds2

About 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol

4-[4-(methyliminomethyl)pyrazol-1-yl]phenol (PubChem CID 123917527) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(methyliminomethyl)pyrazol-1-yl]phenol
PubChem CID123917527
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-[4-(methyliminomethyl)pyrazol-1-yl]phenol
SMILESC/N=C/c1cnn(-c2ccc(O)cc2)c1
InChIInChI=1S/C11H11N3O/c1-12-6-9-7-13-14(8-9)10-2-4-11(15)5-3-10/h2-8,15H,1H3/b12-6+
InChIKeyBDXCYQVLBFFVPM-WUXMJOGZSA-N
XLogP1.63
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol?
The IUPAC name of 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol (CID 123917527) is 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol is C/N=C/c1cnn(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol?
The InChIKey is BDXCYQVLBFFVPM-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H11N3O/c1-12-6-9-7-13-14(8-9)10-2-4-11(15)5-3-10/h2-8,15H,1H3/b12-6+.
What are the key properties of 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol?
4-[4-(methyliminomethyl)pyrazol-1-yl]phenol has a molecular weight of 201.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methyliminomethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 123917527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).