4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol

C13H17N3O — CID 78943353

IUPAC4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1ccn[nH]1
InChIInChI=1S/C13H17N3O/c1-10(14-9-12-6-7-15-16-12)8-11-2-4-13(17)5-3-11/h2-7,10,14,17H,8-9H2,1H3,(H,15,16)
InChIKeyUUTCZKNWNRLMTK-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.84
Rot. Bonds5

About 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol

4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol (PubChem CID 78943353) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol
PubChem CID78943353
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)NCc1ccn[nH]1
InChIInChI=1S/C13H17N3O/c1-10(14-9-12-6-7-15-16-12)8-11-2-4-13(17)5-3-11/h2-7,10,14,17H,8-9H2,1H3,(H,15,16)
InChIKeyUUTCZKNWNRLMTK-UHFFFAOYSA-N
XLogP1.84
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol?
The IUPAC name of 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol (CID 78943353) is 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol.
What is the SMILES notation for 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol?
The canonical SMILES for 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol is CC(Cc1ccc(O)cc1)NCc1ccn[nH]1.
What is the InChIKey of 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol?
The InChIKey is UUTCZKNWNRLMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(14-9-12-6-7-15-16-12)8-11-2-4-13(17)5-3-11/h2-7,10,14,17H,8-9H2,1H3,(H,15,16).
What are the key properties of 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol?
4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-pyrazol-5-ylmethylamino)propyl]phenol is sourced from PubChem (CID 78943353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).