2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol

C11H14N4O — CID 83863987

IUPAC2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol
SMILESCNCc1cc(N)nn1-c1ccccc1O
InChIInChI=1S/C11H14N4O/c1-13-7-8-6-11(12)14-15(8)9-4-2-3-5-10(9)16/h2-6,13,16H,7H2,1H3,(H2,12,14)
InChIKeyXNVDMJSTANZVEV-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.88
Rot. Bonds3

About 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol

2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol (PubChem CID 83863987) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol
PubChem CID83863987
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol
SMILESCNCc1cc(N)nn1-c1ccccc1O
InChIInChI=1S/C11H14N4O/c1-13-7-8-6-11(12)14-15(8)9-4-2-3-5-10(9)16/h2-6,13,16H,7H2,1H3,(H2,12,14)
InChIKeyXNVDMJSTANZVEV-UHFFFAOYSA-N
XLogP0.88
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol?
The IUPAC name of 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol (CID 83863987) is 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol is CNCc1cc(N)nn1-c1ccccc1O.
What is the InChIKey of 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol?
The InChIKey is XNVDMJSTANZVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-13-7-8-6-11(12)14-15(8)9-4-2-3-5-10(9)16/h2-6,13,16H,7H2,1H3,(H2,12,14).
What are the key properties of 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol?
2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(methylaminomethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 83863987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).