5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine

C9H17N3S — CID 43554541

IUPAC5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(SC(C)(C)C)c1N
InChIInChI=1S/C9H17N3S/c1-6-7(10)8(12(5)11-6)13-9(2,3)4/h10H2,1-5H3
InChIKeyZJRJDPMUBUBDDH-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.20
Rot. Bonds1

About 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine

5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine (PubChem CID 43554541) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine
PubChem CID43554541
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(SC(C)(C)C)c1N
InChIInChI=1S/C9H17N3S/c1-6-7(10)8(12(5)11-6)13-9(2,3)4/h10H2,1-5H3
InChIKeyZJRJDPMUBUBDDH-UHFFFAOYSA-N
XLogP2.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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

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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
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
5-Butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554539
5-Ethylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554540
1,3-Dimethyl-5-propylsulfanylpyrazol-4-amine
CID 43554542
1,3-Dimethyl-5-(2-methylpropylsulfanyl)pyrazol-4-amine
CID 43554546
5-(2-Methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine
CID 43554554
5-Butylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43615658

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine (CID 43554541) is 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(SC(C)(C)C)c1N.
What is the InChIKey of 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine?
The InChIKey is ZJRJDPMUBUBDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-6-7(10)8(12(5)11-6)13-9(2,3)4/h10H2,1-5H3.
What are the key properties of 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine?
5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine has a molecular weight of 199.32 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfanyl-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 43554541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).