(2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine

C16H23N3O — CID 134158126

IUPAC(2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccccc1-c1ccnn1C
InChIInChI=1S/C16H23N3O/c1-12(2)10-13(17)11-20-16-7-5-4-6-14(16)15-8-9-18-19(15)3/h4-9,12-13H,10-11,17H2,1-3H3/t13-/m0/s1
InChIKeyITNCRSZKZMEOSW-ZDUSSCGKSA-N
MW273.38 g/mol
LogP2.84
Rot. Bonds6

About (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine

(2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine (PubChem CID 134158126) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine.

Molecular Properties

Compound Name(2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine
PubChem CID134158126
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine
SMILESCC(C)C[C@H](N)COc1ccccc1-c1ccnn1C
InChIInChI=1S/C16H23N3O/c1-12(2)10-13(17)11-20-16-7-5-4-6-14(16)15-8-9-18-19(15)3/h4-9,12-13H,10-11,17H2,1-3H3/t13-/m0/s1
InChIKeyITNCRSZKZMEOSW-ZDUSSCGKSA-N
XLogP2.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propanol, 3-(tert-butylamino)-1-(6-(1-(1H-pyrazol-1-yl)vinyl)phenoxy)-
CID 3069766
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2-(3-{2-[(4-fluorobenzyl)oxy]phenyl}-1H-pyrazol-1-yl)-1-ethanol
CID 1485523
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
US11576897, Example 295
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US11576897, Example 293
CID 66665530
US10183913, Example 330
CID 66665535
5-[2-(4,5-dihydro-1H-imidazol-2-ylmethoxy)phenyl]-1-methylpyrazole
CID 10083742
5-(4-Butoxy-phenyl)-1-methyl-1H-pyrazole
CID 11195591
1-(Propan-2-ylamino)-3-[2-(1-pyrazol-1-ylethenyl)phenoxy]propan-2-ol
CID 15916952
1-(Propan-2-ylamino)-3-[2-(pyrazol-1-ylmethyl)phenoxy]propan-2-ol
CID 15917632
1-[1-(2-methoxyethyl)piperidin-3-yl]-N-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16191059

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine?
The IUPAC name of (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine (CID 134158126) is (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine.
What is the SMILES notation for (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine?
The canonical SMILES for (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine is CC(C)C[C@H](N)COc1ccccc1-c1ccnn1C.
What is the InChIKey of (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine?
The InChIKey is ITNCRSZKZMEOSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)10-13(17)11-20-16-7-5-4-6-14(16)15-8-9-18-19(15)3/h4-9,12-13H,10-11,17H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine?
(2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-1-[2-(2-methylpyrazol-3-yl)phenoxy]pentan-2-amine is sourced from PubChem (CID 134158126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).