1,3-dimethyl-5-propylsulfanylpyrazol-4-amine

C8H15N3S — CID 43554542

IUPAC1,3-dimethyl-5-propylsulfanylpyrazol-4-amine
SMILESCCCSc1c(N)c(C)nn1C
InChIInChI=1S/C8H15N3S/c1-4-5-12-8-7(9)6(2)10-11(8)3/h4-5,9H2,1-3H3
InChIKeyGTFKGXBDWZVUCA-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.81
Rot. Bonds3

About 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine

1,3-dimethyl-5-propylsulfanylpyrazol-4-amine (PubChem CID 43554542) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-5-propylsulfanylpyrazol-4-amine
PubChem CID43554542
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1,3-dimethyl-5-propylsulfanylpyrazol-4-amine
SMILESCCCSc1c(N)c(C)nn1C
InChIInChI=1S/C8H15N3S/c1-4-5-12-8-7(9)6(2)10-11(8)3/h4-5,9H2,1-3H3
InChIKeyGTFKGXBDWZVUCA-UHFFFAOYSA-N
XLogP1.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-Butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554539
5-Ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
5-Tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554541
1,3-Dimethyl-5-(2-methylpropylsulfanyl)pyrazol-4-amine
CID 43554546

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine (CID 43554542) is 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine is CCCSc1c(N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine?
The InChIKey is GTFKGXBDWZVUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-4-5-12-8-7(9)6(2)10-11(8)3/h4-5,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine?
1,3-dimethyl-5-propylsulfanylpyrazol-4-amine has a molecular weight of 185.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propylsulfanylpyrazol-4-amine is sourced from PubChem (CID 43554542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).