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

C15H25N5O — CID 61496901

IUPACN-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(Cc2noc(C(C)C)n2)c1C
InChIInChI=1S/C15H25N5O/c1-6-7-16-8-13-11(4)18-20(12(13)5)9-14-17-15(10(2)3)21-19-14/h10,16H,6-9H2,1-5H3
InChIKeyHZSKBYWWBGYTDQ-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.55
Rot. Bonds7

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

N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 61496901) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
PubChem CID61496901
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC NameN-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1c(C)nn(Cc2noc(C(C)C)n2)c1C
InChIInChI=1S/C15H25N5O/c1-6-7-16-8-13-11(4)18-20(12(13)5)9-14-17-15(10(2)3)21-19-14/h10,16H,6-9H2,1-5H3
InChIKeyHZSKBYWWBGYTDQ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine (CID 61496901) is N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1c(C)nn(Cc2noc(C(C)C)n2)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is HZSKBYWWBGYTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-6-7-16-8-13-11(4)18-20(12(13)5)9-14-17-15(10(2)3)21-19-14/h10,16H,6-9H2,1-5H3.
What are the key properties of N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine?
N-[[3,5-dimethyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 291.40 g/mol, XLogP of 2.55, 7 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-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 61496901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).