(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine

C10H19N3O2S — CID 95027950

IUPAC(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCCCS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-10(9-13-7-3-6-12-13)11-5-4-8-16(2,14)15/h3,6-7,10-11H,4-5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyWRQAKHWYEYUQTO-SNVBAGLBSA-N
MW245.35 g/mol
LogP0.30
Rot. Bonds7

About (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine

(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95027950) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
PubChem CID95027950
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCCCS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-10(9-13-7-3-6-12-13)11-5-4-8-16(2,14)15/h3,6-7,10-11H,4-5,8-9H2,1-2H3/t10-/m1/s1
InChIKeyWRQAKHWYEYUQTO-SNVBAGLBSA-N
XLogP0.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
CID 95279961
(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279364
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
2-amino-4-methylsulfonyl-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 43695389
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 131935574
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide
CID 116815471
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine (CID 95027950) is (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine is C[C@H](Cn1cccn1)NCCCS(C)(=O)=O.
What is the InChIKey of (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is WRQAKHWYEYUQTO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10(9-13-7-3-6-12-13)11-5-4-8-16(2,14)15/h3,6-7,10-11H,4-5,8-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 245.35 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95027950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).