5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine

C9H17N3S — CID 43554539

IUPAC5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCCC(C)Sc1c(N)c(C)nn1C
InChIInChI=1S/C9H17N3S/c1-5-6(2)13-9-8(10)7(3)11-12(9)4/h6H,5,10H2,1-4H3
InChIKeyAVODDXZXPKOILD-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.20
Rot. Bonds3

About 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine

5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine (PubChem CID 43554539) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine
PubChem CID43554539
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCCC(C)Sc1c(N)c(C)nn1C
InChIInChI=1S/C9H17N3S/c1-5-6(2)13-9-8(10)7(3)11-12(9)4/h6H,5,10H2,1-4H3
InChIKeyAVODDXZXPKOILD-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4,4-Difluorobut-3-enylsulfanyl)-1,3-dimethylpyrazol-4-amine
CID 21850432
1,5-Dimethyl-3-propan-2-ylsulfonylpyrazol-4-amine
CID 138597144
1,5-Dimethyl-3-(2-methylpropylsulfonyl)pyrazol-4-amine
CID 138597262
Ethyl 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylacetate
CID 312118
5-methanesulfonyl-1,3-dimethyl-1H-pyrazol-4-amine
CID 43553924
5-Ethylsulfonyl-1,3-dimethylpyrazol-4-amine
CID 43553926
1,3-Dimethyl-5-propylsulfonylpyrazol-4-amine
CID 43553928
1,3-Dimethyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pyrazol-4-amine
CID 43554535
5-Ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
5-Tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554541
1,3-Dimethyl-5-propylsulfanylpyrazol-4-amine
CID 43554542
1,3-Dimethyl-5-(2-methylpropylsulfanyl)pyrazol-4-amine
CID 43554546

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine (CID 43554539) is 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine is CCC(C)Sc1c(N)c(C)nn1C.
What is the InChIKey of 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine?
The InChIKey is AVODDXZXPKOILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-5-6(2)13-9-8(10)7(3)11-12(9)4/h6H,5,10H2,1-4H3.
What are the key properties of 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine?
5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine has a molecular weight of 199.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).