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

C10H15N5O — CID 43647574

IUPAC[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nnc(Cn2nc(C)c(CN)c2C)o1
InChIInChI=1S/C10H15N5O/c1-6-9(4-11)7(2)15(14-6)5-10-13-12-8(3)16-10/h4-5,11H2,1-3H3
InChIKeyFROJFXNDZMDXEA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.70
Rot. Bonds3

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

[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine (PubChem CID 43647574) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine
PubChem CID43647574
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nnc(Cn2nc(C)c(CN)c2C)o1
InChIInChI=1S/C10H15N5O/c1-6-9(4-11)7(2)15(14-6)5-10-13-12-8(3)16-10/h4-5,11H2,1-3H3
InChIKeyFROJFXNDZMDXEA-UHFFFAOYSA-N
XLogP0.70
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine (CID 43647574) is [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine is Cc1nnc(Cn2nc(C)c(CN)c2C)o1.
What is the InChIKey of [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is FROJFXNDZMDXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6-9(4-11)7(2)15(14-6)5-10-13-12-8(3)16-10/h4-5,11H2,1-3H3.
What are the key properties of [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 221.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 43647574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).