2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol

C13H17N3O2 — CID 117230221

IUPAC2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol
SMILESCNC(C)COc1cnn(-c2ccccc2O)c1
InChIInChI=1S/C13H17N3O2/c1-10(14-2)9-18-11-7-15-16(8-11)12-5-3-4-6-13(12)17/h3-8,10,14,17H,9H2,1-2H3
InChIKeyAGHMMHAXAXGJAI-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.56
Rot. Bonds5

About 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol

2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol (PubChem CID 117230221) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol
PubChem CID117230221
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol
SMILESCNC(C)COc1cnn(-c2ccccc2O)c1
InChIInChI=1S/C13H17N3O2/c1-10(14-2)9-18-11-7-15-16(8-11)12-5-3-4-6-13(12)17/h3-8,10,14,17H,9H2,1-2H3
InChIKeyAGHMMHAXAXGJAI-UHFFFAOYSA-N
XLogP1.56
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol?
The IUPAC name of 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol (CID 117230221) is 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol.
What is the SMILES notation for 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol?
The canonical SMILES for 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol is CNC(C)COc1cnn(-c2ccccc2O)c1.
What is the InChIKey of 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol?
The InChIKey is AGHMMHAXAXGJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(14-2)9-18-11-7-15-16(8-11)12-5-3-4-6-13(12)17/h3-8,10,14,17H,9H2,1-2H3.
What are the key properties of 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol?
2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol has a molecular weight of 247.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(methylamino)propoxy]pyrazol-1-yl]phenol is sourced from PubChem (CID 117230221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).