5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine

C9H17N3O2S — CID 165481816

IUPAC5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine
SMILESCc1c(N)cnn1CC(C)CS(C)(=O)=O
InChIInChI=1S/C9H17N3O2S/c1-7(6-15(3,13)14)5-12-8(2)9(10)4-11-12/h4,7H,5-6,10H2,1-3H3
InChIKeyYEBSKEOBRLTLOL-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.45
Rot. Bonds4

About 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine

5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine (PubChem CID 165481816) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine
PubChem CID165481816
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine
SMILESCc1c(N)cnn1CC(C)CS(C)(=O)=O
InChIInChI=1S/C9H17N3O2S/c1-7(6-15(3,13)14)5-12-8(2)9(10)4-11-12/h4,7H,5-6,10H2,1-3H3
InChIKeyYEBSKEOBRLTLOL-UHFFFAOYSA-N
XLogP0.45
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-2-methylpropyl)pyrazole-4,5-diamine
CID 22227389
4-methyl-1-(2-methylbutyl)pyrazol-5-amine
CID 43312420
3-[4-amino-5-(ethylamino)pyrazol-1-yl]-2-methylpropan-1-ol
CID 59000072
5-(4-amino-5-methylpyrazol-1-yl)pentanamide
CID 165471809
5-methyl-1-[(3-methylcyclobutyl)methyl]pyrazol-4-amine
CID 165472636
1-[(E)-but-2-enyl]-5-methylpyrazol-4-amine
CID 131351802
5-methyl-1-(2-methylpropyl)-4-nitropyrazole
CID 23088343
5-methyl-1-[(1-methylpiperidin-4-yl)methyl]pyrazol-4-amine
CID 165480206
1-(2-ethoxyethyl)-5-methylpyrazol-4-amine
CID 165473067
1-ethyl-5-methyl-4-propan-2-ylsulfonylpyrazole
CID 135209476
(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol
CID 129088824
5-methyl-1-[(1-methylcyclobutyl)methyl]pyrazol-4-amine
CID 165480554

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine?
The IUPAC name of 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine (CID 165481816) is 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine is Cc1c(N)cnn1CC(C)CS(C)(=O)=O.
What is the InChIKey of 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine?
The InChIKey is YEBSKEOBRLTLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7(6-15(3,13)14)5-12-8(2)9(10)4-11-12/h4,7H,5-6,10H2,1-3H3.
What are the key properties of 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine?
5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine has a molecular weight of 231.32 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methyl-3-methylsulfonylpropyl)pyrazol-4-amine is sourced from PubChem (CID 165481816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).