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

C13H21N5O — CID 63070020

IUPACN-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1-n1ccc(C)n1
InChIInChI=1S/C13H21N5O/c1-10-5-7-18(15-10)13-12(9-14-6-8-19-4)11(2)16-17(13)3/h5,7,14H,6,8-9H2,1-4H3
InChIKeyICHSCUWQWLAFIX-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.96
Rot. Bonds6

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

N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 63070020) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID63070020
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1-n1ccc(C)n1
InChIInChI=1S/C13H21N5O/c1-10-5-7-18(15-10)13-12(9-14-6-8-19-4)11(2)16-17(13)3/h5,7,14H,6,8-9H2,1-4H3
InChIKeyICHSCUWQWLAFIX-UHFFFAOYSA-N
XLogP0.96
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.96
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-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine (CID 63070020) is N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1c(C)nn(C)c1-n1ccc(C)n1.
What is the InChIKey of N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is ICHSCUWQWLAFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-10-5-7-18(15-10)13-12(9-14-6-8-19-4)11(2)16-17(13)3/h5,7,14H,6,8-9H2,1-4H3.
What are the key properties of N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 263.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(3-methylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63070020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).