3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol

C15H21N3O — CID 114555438

IUPAC3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
SMILESCCCn1nccc1CNC(C)c1cccc(O)c1
InChIInChI=1S/C15H21N3O/c1-3-9-18-14(7-8-17-18)11-16-12(2)13-5-4-6-15(19)10-13/h4-8,10,12,16,19H,3,9,11H2,1-2H3
InChIKeyUUHMBJFDOAFUQV-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.85
Rot. Bonds6

About 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol

3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol (PubChem CID 114555438) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
PubChem CID114555438
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol
SMILESCCCn1nccc1CNC(C)c1cccc(O)c1
InChIInChI=1S/C15H21N3O/c1-3-9-18-14(7-8-17-18)11-16-12(2)13-5-4-6-15(19)10-13/h4-8,10,12,16,19H,3,9,11H2,1-2H3
InChIKeyUUHMBJFDOAFUQV-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986059
(1R)-1-phenyl-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114986058
1-(3-fluoro-4-methylphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555942
1-(4-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555894
N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
CID 115761611
(2S)-2-phenyl-2-[(2-propylpyrazol-3-yl)methylamino]ethanol
CID 107862266
1-(2-chlorophenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114554830
3-[1-(2-pyrazol-1-ylethylamino)ethyl]phenol
CID 54951683
N-[(2-propylpyrazol-3-yl)methyl]hydroxylamine
CID 114556004
3-methyl-N-[(2-propylpyrazol-3-yl)methyl]pentan-2-amine
CID 114555629
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol?
The IUPAC name of 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol (CID 114555438) is 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol?
The canonical SMILES for 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol is CCCn1nccc1CNC(C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol?
The InChIKey is UUHMBJFDOAFUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-9-18-14(7-8-17-18)11-16-12(2)13-5-4-6-15(19)10-13/h4-8,10,12,16,19H,3,9,11H2,1-2H3.
What are the key properties of 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol?
3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol has a molecular weight of 259.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-propylpyrazol-3-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 114555438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).