(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine

C15H21N3O — CID 102999817

IUPAC(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCCc2ccnn2C)cc1
InChIInChI=1S/C15H21N3O/c1-3-15(16)12-4-6-14(7-5-12)19-11-9-13-8-10-17-18(13)2/h4-8,10,15H,3,9,11,16H2,1-2H3/t15-/m0/s1
InChIKeyDNAFEKYDYHROIP-HNNXBMFYSA-N
MW259.35 g/mol
LogP2.45
Rot. Bonds6

About (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine

(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine (PubChem CID 102999817) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
PubChem CID102999817
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCCc2ccnn2C)cc1
InChIInChI=1S/C15H21N3O/c1-3-15(16)12-4-6-14(7-5-12)19-11-9-13-8-10-17-18(13)2/h4-8,10,15H,3,9,11,16H2,1-2H3/t15-/m0/s1
InChIKeyDNAFEKYDYHROIP-HNNXBMFYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(2-methylpyrazol-3-yl)ethoxy]benzaldehyde
CID 103002817
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
(1R)-1-[4-(2-pyridin-2-ylethoxy)phenyl]propan-1-amine
CID 78937530
(1R)-1-[4-[2-(4-bromophenoxy)ethoxy]phenyl]propan-1-amine
CID 63367661
N'-hydroxy-2-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanimidamide
CID 103003007
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103031051
1-[3-fluoro-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]butan-2-amine
CID 103013256
1-[4-(2-ethoxyethoxy)phenyl]propan-1-amine
CID 43457024
N-[[5-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 102999859
(1S)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 78937096
1-[4-[(2-methyltetrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 107041072
(1S)-1-(4-octoxyphenyl)propan-1-amine
CID 78944099

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine (CID 102999817) is (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccc(OCCc2ccnn2C)cc1.
What is the InChIKey of (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine?
The InChIKey is DNAFEKYDYHROIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-15(16)12-4-6-14(7-5-12)19-11-9-13-8-10-17-18(13)2/h4-8,10,15H,3,9,11,16H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine?
(1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]propan-1-amine is sourced from PubChem (CID 102999817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).