3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol

C13H17N3O — CID 65191851

IUPAC3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
SMILESCc1nn(C)cc1C(C)Nc1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-9(13-8-16(3)15-10(13)2)14-11-5-4-6-12(17)7-11/h4-9,14,17H,1-3H3
InChIKeyJPSDLKPWERNRNY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.61
Rot. Bonds3

About 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol

3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol (PubChem CID 65191851) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol.

Molecular Properties

Compound Name3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
PubChem CID65191851
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
SMILESCc1nn(C)cc1C(C)Nc1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-9(13-8-16(3)15-10(13)2)14-11-5-4-6-12(17)7-11/h4-9,14,17H,1-3H3
InChIKeyJPSDLKPWERNRNY-UHFFFAOYSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
CID 65192307
4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65197115
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65191652
2-chloro-4-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 107678355
3-butan-2-yloxy-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]aniline
CID 65197181
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodoaniline
CID 65192267
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 65192064
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-benzothiophen-5-amine
CID 65192021
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1H-indol-5-amine
CID 65192008
methyl 2-chloro-5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65192423

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol?
The IUPAC name of 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol (CID 65191851) is 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol.
What is the SMILES notation for 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol?
The canonical SMILES for 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol is Cc1nn(C)cc1C(C)Nc1cccc(O)c1.
What is the InChIKey of 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol?
The InChIKey is JPSDLKPWERNRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(13-8-16(3)15-10(13)2)14-11-5-4-6-12(17)7-11/h4-9,14,17H,1-3H3.
What are the key properties of 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol?
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol has a molecular weight of 231.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol is sourced from PubChem (CID 65191851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).