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

C15H25N5O — CID 66403036

IUPACN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nnc(Cn2nc(C)c(CNCC(C)C)c2C)o1
InChIInChI=1S/C15H25N5O/c1-6-14-17-18-15(21-14)9-20-12(5)13(11(4)19-20)8-16-7-10(2)3/h10,16H,6-9H2,1-5H3
InChIKeyZMCDHWHCSSNCSW-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.24
Rot. Bonds7

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

N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66403036) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66403036
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nnc(Cn2nc(C)c(CNCC(C)C)c2C)o1
InChIInChI=1S/C15H25N5O/c1-6-14-17-18-15(21-14)9-20-12(5)13(11(4)19-20)8-16-7-10(2)3/h10,16H,6-9H2,1-5H3
InChIKeyZMCDHWHCSSNCSW-UHFFFAOYSA-N
XLogP2.24
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66403036) is N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is CCc1nnc(Cn2nc(C)c(CNCC(C)C)c2C)o1.
What is the InChIKey of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZMCDHWHCSSNCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-6-14-17-18-15(21-14)9-20-12(5)13(11(4)19-20)8-16-7-10(2)3/h10,16H,6-9H2,1-5H3.
What are the key properties of N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66403036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).