1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine

C12H19N5S — CID 138057350

IUPAC1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine
SMILESCCC(C)n1nc(NCc2snnc2C)cc1C
InChIInChI=1S/C12H19N5S/c1-5-8(2)17-9(3)6-12(15-17)13-7-11-10(4)14-16-18-11/h6,8H,5,7H2,1-4H3,(H,13,15)
InChIKeyDKWXCACJJPNDGR-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.93
Rot. Bonds5

About 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine

1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine (PubChem CID 138057350) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine
PubChem CID138057350
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine
SMILESCCC(C)n1nc(NCc2snnc2C)cc1C
InChIInChI=1S/C12H19N5S/c1-5-8(2)17-9(3)6-12(15-17)13-7-11-10(4)14-16-18-11/h6,8H,5,7H2,1-4H3,(H,13,15)
InChIKeyDKWXCACJJPNDGR-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine (CID 138057350) is 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine is CCC(C)n1nc(NCc2snnc2C)cc1C.
What is the InChIKey of 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine?
The InChIKey is DKWXCACJJPNDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-5-8(2)17-9(3)6-12(15-17)13-7-11-10(4)14-16-18-11/h6,8H,5,7H2,1-4H3,(H,13,15).
What are the key properties of 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine?
1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine has a molecular weight of 265.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-methyl-N-[(4-methylthiadiazol-5-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 138057350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).