1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine

C10H19N3O2S — CID 115649859

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
SMILESCCc1cc(CC(N)CS(C)(=O)=O)n(C)n1
InChIInChI=1S/C10H19N3O2S/c1-4-9-6-10(13(2)12-9)5-8(11)7-16(3,14)15/h6,8H,4-5,7,11H2,1-3H3
InChIKeyOROABLARGCBARN-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.10
Rot. Bonds5

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine

1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine (PubChem CID 115649859) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
PubChem CID115649859
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
SMILESCCc1cc(CC(N)CS(C)(=O)=O)n(C)n1
InChIInChI=1S/C10H19N3O2S/c1-4-9-6-10(13(2)12-9)5-8(11)7-16(3,14)15/h6,8H,4-5,7,11H2,1-3H3
InChIKeyOROABLARGCBARN-UHFFFAOYSA-N
XLogP-0.10
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(3-ethyl-1-methylpyrazol-5-yl)-5,5-dimethylhexan-2-amine
CID 114211654
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 104999178
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(4-bromophenyl)sulfanyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 66057081
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(3-methylphenyl)butan-2-amine
CID 105160252
1-(3-ethyl-1-methylpyrazol-5-yl)-4-(furan-2-yl)butan-2-amine
CID 105160147

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine (CID 115649859) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine is CCc1cc(CC(N)CS(C)(=O)=O)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine?
The InChIKey is OROABLARGCBARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-4-9-6-10(13(2)12-9)5-8(11)7-16(3,14)15/h6,8H,4-5,7,11H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine has a molecular weight of 245.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine is sourced from PubChem (CID 115649859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).