N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

C18H29N5 — CID 46997368

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(CC)Cc2c(C)nn(CC)c2C)c(C)n1
InChIInChI=1S/C18H29N5/c1-7-10-22-12-17(14(4)19-22)11-21(8-2)13-18-15(5)20-23(9-3)16(18)6/h7,12H,1,8-11,13H2,2-6H3
InChIKeyBWGXCMHHJTWWRE-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.23
Rot. Bonds8

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (PubChem CID 46997368) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
PubChem CID46997368
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(CC)Cc2c(C)nn(CC)c2C)c(C)n1
InChIInChI=1S/C18H29N5/c1-7-10-22-12-17(14(4)19-22)11-21(8-2)13-18-15(5)20-23(9-3)16(18)6/h7,12H,1,8-11,13H2,2-6H3
InChIKeyBWGXCMHHJTWWRE-UHFFFAOYSA-N
XLogP3.23
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (CID 46997368) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is C=CCn1cc(CN(CC)Cc2c(C)nn(CC)c2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is BWGXCMHHJTWWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-7-10-22-12-17(14(4)19-22)11-21(8-2)13-18-15(5)20-23(9-3)16(18)6/h7,12H,1,8-11,13H2,2-6H3.
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 315.47 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 46997368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).