4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol

C12H15N3O — CID 136758046

IUPAC4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
SMILESCNCCc1cc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C12H15N3O/c1-13-7-6-10-8-12(15-14-10)9-2-4-11(16)5-3-9/h2-5,8,13,16H,6-7H2,1H3,(H,14,15)
InChIKeyLLIIYPDKISCTSR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.54
Rot. Bonds4

About 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol

4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol (PubChem CID 136758046) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
PubChem CID136758046
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol
SMILESCNCCc1cc(-c2ccc(O)cc2)n[nH]1
InChIInChI=1S/C12H15N3O/c1-13-7-6-10-8-12(15-14-10)9-2-4-11(16)5-3-9/h2-5,8,13,16H,6-7H2,1H3,(H,14,15)
InChIKeyLLIIYPDKISCTSR-UHFFFAOYSA-N
XLogP1.54
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol (CID 136758046) is 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol is CNCCc1cc(-c2ccc(O)cc2)n[nH]1.
What is the InChIKey of 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol?
The InChIKey is LLIIYPDKISCTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-7-6-10-8-12(15-14-10)9-2-4-11(16)5-3-9/h2-5,8,13,16H,6-7H2,1H3,(H,14,15).
What are the key properties of 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol?
4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(methylamino)ethyl]-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 136758046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).