1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine

C13H25N3O2S — CID 106730571

IUPAC1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cnn(CCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C13H25N3O2S/c1-6-12(14-5)11-9-15-16(10-11)7-8-19(17,18)13(2,3)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyAGIKJNVKRMUKCP-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.77
Rot. Bonds6

About 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine

1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine (PubChem CID 106730571) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
PubChem CID106730571
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1cnn(CCS(=O)(=O)C(C)(C)C)c1
InChIInChI=1S/C13H25N3O2S/c1-6-12(14-5)11-9-15-16(10-11)7-8-19(17,18)13(2,3)4/h9-10,12,14H,6-8H2,1-5H3
InChIKeyAGIKJNVKRMUKCP-UHFFFAOYSA-N
XLogP1.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729799
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729791
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82871677
1-[1-(2-methylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 62729712
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 62731616
3-(methylamino)-3-(1-propylpyrazol-4-yl)propanamide
CID 103573447
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 105408692
1-[1-(2-propan-2-ylsulfonylethyl)pyrazol-4-yl]propan-1-ol
CID 106730648
4-(1-chloropropyl)-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106730682

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine (CID 106730571) is 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine is CCC(NC)c1cnn(CCS(=O)(=O)C(C)(C)C)c1.
What is the InChIKey of 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
The InChIKey is AGIKJNVKRMUKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-6-12(14-5)11-9-15-16(10-11)7-8-19(17,18)13(2,3)4/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine?
1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-tert-butylsulfonylethyl)pyrazol-4-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 106730571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).