4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol

C15H21N3O — CID 43749270

IUPAC4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)Cn1cccn1)c1ccc(O)cc1
InChIInChI=1S/C15H21N3O/c1-3-15(13-5-7-14(19)8-6-13)17-12(2)11-18-10-4-9-16-18/h4-10,12,15,17,19H,3,11H2,1-2H3
InChIKeyAXNAKIVDIKTCES-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.72
Rot. Bonds6

About 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol

4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol (PubChem CID 43749270) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol
PubChem CID43749270
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol
SMILESCCC(NC(C)Cn1cccn1)c1ccc(O)cc1
InChIInChI=1S/C15H21N3O/c1-3-15(13-5-7-14(19)8-6-13)17-12(2)11-18-10-4-9-16-18/h4-10,12,15,17,19H,3,11H2,1-2H3
InChIKeyAXNAKIVDIKTCES-UHFFFAOYSA-N
XLogP2.72
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
CID 93276656
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
CID 43749281
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
4-[1-(1-imidazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749727
5-methoxy-2-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]phenol
CID 43749211
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
CID 61154759
N-(1-pyrazol-1-ylpropan-2-yl)hexan-2-amine
CID 43791834
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
3-[1-(1-pyrazol-1-ylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 43791798
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine
CID 43749288

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol (CID 43749270) is 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol is CCC(NC(C)Cn1cccn1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol?
The InChIKey is AXNAKIVDIKTCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(13-5-7-14(19)8-6-13)17-12(2)11-18-10-4-9-16-18/h4-10,12,15,17,19H,3,11H2,1-2H3.
What are the key properties of 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol?
4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol is sourced from PubChem (CID 43749270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).