2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine

C14H27N3O2S — CID 66441609

IUPAC2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)c1c(CNC(C)(C)C)cnn1CCS(C)(=O)=O
InChIInChI=1S/C14H27N3O2S/c1-11(2)13-12(9-15-14(3,4)5)10-16-17(13)7-8-20(6,18)19/h10-11,15H,7-9H2,1-6H3
InChIKeySZHAOMKSZZEIAK-UHFFFAOYSA-N
MW301.46 g/mol
LogP1.94
Rot. Bonds6

About 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 66441609) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID66441609
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)c1c(CNC(C)(C)C)cnn1CCS(C)(=O)=O
InChIInChI=1S/C14H27N3O2S/c1-11(2)13-12(9-15-14(3,4)5)10-16-17(13)7-8-20(6,18)19/h10-11,15H,7-9H2,1-6H3
InChIKeySZHAOMKSZZEIAK-UHFFFAOYSA-N
XLogP1.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-methyl-1-[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66441213
2-methyl-N-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66442365
N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441610
N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441221
N-[(1-butan-2-yl-5-propan-2-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441353
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441934
2-methyl-N-[[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine
CID 66440653
2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine
CID 83169712
N-[[1-(2-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441880
2-methyl-N-[(5-propan-2-yl-1-pyridazin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 103294541
N-[[1-benzyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66440086
4-(chloromethyl)-1-(2-methylsulfonylethyl)-5-propylpyrazole
CID 66436219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine (CID 66441609) is 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine is CC(C)c1c(CNC(C)(C)C)cnn1CCS(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is SZHAOMKSZZEIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-11(2)13-12(9-15-14(3,4)5)10-16-17(13)7-8-20(6,18)19/h10-11,15H,7-9H2,1-6H3.
What are the key properties of 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylsulfonylethyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66441609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).