[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium

C12H16N3+ — CID 144959097

IUPAC[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
SMILESC[C@H]([NH3+])Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10(13)9-15-8-7-12(14-15)11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3/p+1/t10-/m0/s1
InChIKeyVOOVHSMYYAPJJF-JTQLQIEISA-O
MW202.28 g/mol
LogP1.18
Rot. Bonds3

About [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium

[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium (PubChem CID 144959097) has the molecular formula C12H16N3+ and a molecular weight of 202.28 g/mol. Its IUPAC name is [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
PubChem CID144959097
Molecular FormulaC12H16N3+
Molecular Weight202.28 g/mol
Exact Mass202.13
IUPAC Name[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium
SMILESC[C@H]([NH3+])Cn1ccc(-c2ccccc2)n1
InChIInChI=1S/C12H15N3/c1-10(13)9-15-8-7-12(14-15)11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3/p+1/t10-/m0/s1
InChIKeyVOOVHSMYYAPJJF-JTQLQIEISA-O
XLogP1.18
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
CID 141127298
3-phenyl-1-[2-[2-(3-phenylpyrazol-1-yl)ethoxy]ethyl]pyrazole
CID 11684541
N-[(2R)-1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514529
N-[(2S)-3-methyl-1-(3-phenylpyrazol-1-yl)butan-2-yl]pyrrolidine-1-carboxamide
CID 118524356
3-(3-phenylpyrazol-1-yl)propan-1-amine
CID 57225194
1-(2-methylsulfonylethyl)-3-phenylpyrazole
CID 66015946
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
(2S)-2-(3-phenylpyrazol-1-yl)propan-1-amine
CID 118514487
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
1-(2-nitrophenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
CID 141127289
3-(3-phenylpyrazol-1-yl)propanamide
CID 19835817
N-[2-(3-phenylpyrazol-1-yl)ethyl]formamide
CID 118524378

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium?
The IUPAC name of [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium (CID 144959097) is [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium?
The canonical SMILES for [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium is C[C@H]([NH3+])Cn1ccc(-c2ccccc2)n1.
What is the InChIKey of [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium?
The InChIKey is VOOVHSMYYAPJJF-JTQLQIEISA-O. The full InChI is InChI=1S/C12H15N3/c1-10(13)9-15-8-7-12(14-15)11-5-3-2-4-6-11/h2-8,10H,9,13H2,1H3/p+1/t10-/m0/s1.
What are the key properties of [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium?
[(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium has a molecular weight of 202.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-phenylpyrazol-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 144959097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).