1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole

C13H20N2OS — CID 168887767

IUPAC1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole
SMILESCSC1CC(C)OC(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C13H20N2OS/c1-9-5-12(17-2)6-13(16-9)10-7-14-15(8-10)11-3-4-11/h7-9,11-13H,3-6H2,1-2H3
InChIKeyXDHYCQHWCFAXMH-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.19
Rot. Bonds3

About 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole

1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole (PubChem CID 168887767) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole
PubChem CID168887767
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole
SMILESCSC1CC(C)OC(c2cnn(C3CC3)c2)C1
InChIInChI=1S/C13H20N2OS/c1-9-5-12(17-2)6-13(16-9)10-7-14-15(8-10)11-3-4-11/h7-9,11-13H,3-6H2,1-2H3
InChIKeyXDHYCQHWCFAXMH-UHFFFAOYSA-N
XLogP3.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole?
The IUPAC name of 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole (CID 168887767) is 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole.
What is the SMILES notation for 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole?
The canonical SMILES for 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole is CSC1CC(C)OC(c2cnn(C3CC3)c2)C1.
What is the InChIKey of 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole?
The InChIKey is XDHYCQHWCFAXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-5-12(17-2)6-13(16-9)10-7-14-15(8-10)11-3-4-11/h7-9,11-13H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole?
1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole has a molecular weight of 252.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(6-methyl-4-methylsulfanyloxan-2-yl)pyrazole is sourced from PubChem (CID 168887767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).