4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol

C12H15N3O — CID 136758061

IUPAC4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
SMILESCNCc1cnn(C)c1-c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-13-7-10-8-14-15(2)12(10)9-3-5-11(16)6-4-9/h3-6,8,13,16H,7H2,1-2H3
InChIKeyAQAJIGVHOYUCTI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.51
Rot. Bonds3

About 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol

4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol (PubChem CID 136758061) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
PubChem CID136758061
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
SMILESCNCc1cnn(C)c1-c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-13-7-10-8-14-15(2)12(10)9-3-5-11(16)6-4-9/h3-6,8,13,16H,7H2,1-2H3
InChIKeyAQAJIGVHOYUCTI-UHFFFAOYSA-N
XLogP1.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol?
The IUPAC name of 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol (CID 136758061) is 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol?
The canonical SMILES for 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol is CNCc1cnn(C)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol?
The InChIKey is AQAJIGVHOYUCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-7-10-8-14-15(2)12(10)9-3-5-11(16)6-4-9/h3-6,8,13,16H,7H2,1-2H3.
What are the key properties of 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol?
4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol is sourced from PubChem (CID 136758061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).