2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine

C11H21N3O2S — CID 115857532

IUPAC2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1C(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H21N3O2S/c1-5-8-14-9(6-7-13-14)10(12)11(2,3)17(4,15)16/h6-7,10H,5,8,12H2,1-4H3
InChIKeyJNQHLAIGQRAMQU-UHFFFAOYSA-N
MW259.38 g/mol
LogP1.12
Rot. Bonds5

About 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine

2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine (PubChem CID 115857532) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine
PubChem CID115857532
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine
SMILESCCCn1nccc1C(N)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H21N3O2S/c1-5-8-14-9(6-7-13-14)10(12)11(2,3)17(4,15)16/h6-7,10H,5,8,12H2,1-4H3
InChIKeyJNQHLAIGQRAMQU-UHFFFAOYSA-N
XLogP1.12
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 63975935
(4-tert-butylphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 115857696
(1S)-3,3,3-trifluoro-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 104941104
4,4,4-trifluoro-1-(2-propylpyrazol-3-yl)butan-1-amine
CID 79952578
2-methoxy-1-(2-propylpyrazol-3-yl)ethanamine
CID 63974690
1-(2-propylpyrazol-3-yl)hexan-1-amine
CID 115857677
2-tert-butylsulfanyl-N-ethyl-1-(2-propylpyrazol-3-yl)ethanamine
CID 65133056
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
(3-chloro-4-iodophenyl)-(2-propylpyrazol-3-yl)methanamine
CID 103215295
2,2,2-trifluoro-1-(2-propylpyrazol-3-yl)ethanol
CID 63977421
methyl (3R)-3-amino-3-(2-propylpyrazol-3-yl)propanoate
CID 104939468
1-N,2-diethyl-2-N,2-N-dimethyl-1-(2-propylpyrazol-3-yl)butane-1,2-diamine
CID 79061756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine (CID 115857532) is 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine is CCCn1nccc1C(N)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine?
The InChIKey is JNQHLAIGQRAMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-5-8-14-9(6-7-13-14)10(12)11(2,3)17(4,15)16/h6-7,10H,5,8,12H2,1-4H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine?
2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-(2-propylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 115857532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).