(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine

C15H21N3 — CID 93276656

IUPAC(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
SMILESCC[C@@H](N[C@@H](C)Cn1cccn1)c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-15(14-8-5-4-6-9-14)17-13(2)12-18-11-7-10-16-18/h4-11,13,15,17H,3,12H2,1-2H3/t13-,15+/m0/s1
InChIKeyLASKZOJTMYIAFN-DZGCQCFKSA-N
MW243.35 g/mol
LogP3.01
Rot. Bonds6

About (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine

(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine (PubChem CID 93276656) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
PubChem CID93276656
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine
SMILESCC[C@@H](N[C@@H](C)Cn1cccn1)c1ccccc1
InChIInChI=1S/C15H21N3/c1-3-15(14-8-5-4-6-9-14)17-13(2)12-18-11-7-10-16-18/h4-11,13,15,17H,3,12H2,1-2H3/t13-,15+/m0/s1
InChIKeyLASKZOJTMYIAFN-DZGCQCFKSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1-pyrazol-1-ylpropan-2-ylamino)propyl]phenol
CID 43749270
1-(4-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)propan-1-amine
CID 43749281
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine
CID 43749288
3,3,3-trifluoro-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpropan-1-amine
CID 43792012
1-(4-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 43749780
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
(1R)-1-phenyl-2-pyrazol-1-ylethanol
CID 712326
N-(1-pyrazol-1-ylpropan-2-yl)hexan-2-amine
CID 43791834
(2S)-N-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279669
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine?
The IUPAC name of (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine (CID 93276656) is (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine?
The canonical SMILES for (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine is CC[C@@H](N[C@@H](C)Cn1cccn1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine?
The InChIKey is LASKZOJTMYIAFN-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-15(14-8-5-4-6-9-14)17-13(2)12-18-11-7-10-16-18/h4-11,13,15,17H,3,12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine?
(1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propan-1-amine is sourced from PubChem (CID 93276656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).