3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol

C13H17N3O — CID 54951683

IUPAC3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
SMILESCC(NCCn1cccn1)c1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-11(12-4-2-5-13(17)10-12)14-7-9-16-8-3-6-15-16/h2-6,8,10-11,14,17H,7,9H2,1H3
InChIKeyIZNBCDVQVPCXIT-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.94
Rot. Bonds5

About 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol

3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol (PubChem CID 54951683) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
PubChem CID54951683
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
SMILESCC(NCCn1cccn1)c1cccc(O)c1
InChIInChI=1S/C13H17N3O/c1-11(12-4-2-5-13(17)10-12)14-7-9-16-8-3-6-15-16/h2-6,8,10-11,14,17H,7,9H2,1H3
InChIKeyIZNBCDVQVPCXIT-UHFFFAOYSA-N
XLogP1.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
1-(3-bromo-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459542
3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
CID 114555438
(1S)-1-(3-chloro-4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 95612012
4-[1-(2-pyrazol-1-ylethylamino)ethyl]benzonitrile
CID 54951278
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61460058
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol?
The IUPAC name of 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol (CID 54951683) is 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol is CC(NCCn1cccn1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol?
The InChIKey is IZNBCDVQVPCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(12-4-2-5-13(17)10-12)14-7-9-16-8-3-6-15-16/h2-6,8,10-11,14,17H,7,9H2,1H3.
What are the key properties of 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol?
3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol is sourced from PubChem (CID 54951683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).