N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine

C14H23N5O — CID 66403432

IUPACN-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(Cc2nccn2C)c1C
InChIInChI=1S/C14H23N5O/c1-11-13(9-15-6-8-20-4)12(2)19(17-11)10-14-16-5-7-18(14)3/h5,7,15H,6,8-10H2,1-4H3
InChIKeyIRSJGGQNWJFEIN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.02
Rot. Bonds7

About N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine

N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 66403432) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID66403432
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC NameN-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(Cc2nccn2C)c1C
InChIInChI=1S/C14H23N5O/c1-11-13(9-15-6-8-20-4)12(2)19(17-11)10-14-16-5-7-18(14)3/h5,7,15H,6,8-10H2,1-4H3
InChIKeyIRSJGGQNWJFEIN-UHFFFAOYSA-N
XLogP1.02
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.02
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-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 66403432) is N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1c(C)nn(Cc2nccn2C)c1C.
What is the InChIKey of N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is IRSJGGQNWJFEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-13(9-15-6-8-20-4)12(2)19(17-11)10-14-16-5-7-18(14)3/h5,7,15H,6,8-10H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[3,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 277.37 g/mol, XLogP of 1.02, 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-[(1-methylimidazol-2-yl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66403432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).