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

C14H23N5O — CID 66400688

IUPACN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(Cn2nc(C)c(CNCC(C)C)c2C)o1
InChIInChI=1S/C14H23N5O/c1-9(2)6-15-7-13-10(3)18-19(11(13)4)8-14-17-16-12(5)20-14/h9,15H,6-8H2,1-5H3
InChIKeySYCZOCBYDJNIJK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.99
Rot. Bonds6

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

N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66400688) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66400688
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(Cn2nc(C)c(CNCC(C)C)c2C)o1
InChIInChI=1S/C14H23N5O/c1-9(2)6-15-7-13-10(3)18-19(11(13)4)8-14-17-16-12(5)20-14/h9,15H,6-8H2,1-5H3
InChIKeySYCZOCBYDJNIJK-UHFFFAOYSA-N
XLogP1.99
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66400688) is N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1nnc(Cn2nc(C)c(CNCC(C)C)c2C)o1.
What is the InChIKey of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SYCZOCBYDJNIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-9(2)6-15-7-13-10(3)18-19(11(13)4)8-14-17-16-12(5)20-14/h9,15H,6-8H2,1-5H3.
What are the key properties of N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66400688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).