5-methyl-1-(thian-4-yl)pyrazol-4-amine

C9H15N3S — CID 90104884

IUPAC5-methyl-1-(thian-4-yl)pyrazol-4-amine
SMILESCc1c(N)cnn1C1CCSCC1
InChIInChI=1S/C9H15N3S/c1-7-9(10)6-11-12(7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3
InChIKeyGNEPFUCWZZCGGB-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.84
Rot. Bonds1

About 5-methyl-1-(thian-4-yl)pyrazol-4-amine

5-methyl-1-(thian-4-yl)pyrazol-4-amine (PubChem CID 90104884) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 5-methyl-1-(thian-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(thian-4-yl)pyrazol-4-amine
PubChem CID90104884
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name5-methyl-1-(thian-4-yl)pyrazol-4-amine
SMILESCc1c(N)cnn1C1CCSCC1
InChIInChI=1S/C9H15N3S/c1-7-9(10)6-11-12(7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3
InChIKeyGNEPFUCWZZCGGB-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(thian-4-yl)pyrazol-4-amine?
The IUPAC name of 5-methyl-1-(thian-4-yl)pyrazol-4-amine (CID 90104884) is 5-methyl-1-(thian-4-yl)pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-(thian-4-yl)pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-(thian-4-yl)pyrazol-4-amine is Cc1c(N)cnn1C1CCSCC1.
What is the InChIKey of 5-methyl-1-(thian-4-yl)pyrazol-4-amine?
The InChIKey is GNEPFUCWZZCGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-7-9(10)6-11-12(7)8-2-4-13-5-3-8/h6,8H,2-5,10H2,1H3.
What are the key properties of 5-methyl-1-(thian-4-yl)pyrazol-4-amine?
5-methyl-1-(thian-4-yl)pyrazol-4-amine has a molecular weight of 197.31 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(thian-4-yl)pyrazol-4-amine is sourced from PubChem (CID 90104884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).