5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine

C8H11N5O — CID 130496606

IUPAC5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1nonc1Cn1nc(N)cc1C
InChIInChI=1S/C8H11N5O/c1-5-3-8(9)10-13(5)4-7-6(2)11-14-12-7/h3H,4H2,1-2H3,(H2,9,10)
InChIKeyWZRXOFZHGIUPHA-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.51
Rot. Bonds2

About 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine

5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine (PubChem CID 130496606) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine
PubChem CID130496606
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine
SMILESCc1nonc1Cn1nc(N)cc1C
InChIInChI=1S/C8H11N5O/c1-5-3-8(9)10-13(5)4-7-6(2)11-14-12-7/h3H,4H2,1-2H3,(H2,9,10)
InChIKeyWZRXOFZHGIUPHA-UHFFFAOYSA-N
XLogP0.51
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine?
The IUPAC name of 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine (CID 130496606) is 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine is Cc1nonc1Cn1nc(N)cc1C.
What is the InChIKey of 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine?
The InChIKey is WZRXOFZHGIUPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-5-3-8(9)10-13(5)4-7-6(2)11-14-12-7/h3H,4H2,1-2H3,(H2,9,10).
What are the key properties of 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine?
5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine has a molecular weight of 193.21 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 130496606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).