1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

C13H21N5O — CID 107234153

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2cn(C)nc2C(C)(C)C)no1
InChIInChI=1S/C13H21N5O/c1-9-15-11(17-19-9)7-14-6-10-8-18(5)16-12(10)13(2,3)4/h8,14H,6-7H2,1-5H3
InChIKeyPWQFBBLDOKUJJH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds4

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine

1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (PubChem CID 107234153) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
PubChem CID107234153
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
SMILESCc1nc(CNCc2cn(C)nc2C(C)(C)C)no1
InChIInChI=1S/C13H21N5O/c1-9-15-11(17-19-9)7-14-6-10-8-18(5)16-12(10)13(2,3)4/h8,14H,6-7H2,1-5H3
InChIKeyPWQFBBLDOKUJJH-UHFFFAOYSA-N
XLogP1.70
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine (CID 107234153) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is Cc1nc(CNCc2cn(C)nc2C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
The InChIKey is PWQFBBLDOKUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-15-11(17-19-9)7-14-6-10-8-18(5)16-12(10)13(2,3)4/h8,14H,6-7H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine has a molecular weight of 263.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine is sourced from PubChem (CID 107234153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).