N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C13H21N5 — CID 77081226

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCn1ccnc1CN(C)CCc1cnn(C)c1
InChIInChI=1S/C13H21N5/c1-4-18-8-6-14-13(18)11-16(2)7-5-12-9-15-17(3)10-12/h6,8-10H,4-5,7,11H2,1-3H3
InChIKeyOPNXUOCGQUTJCQ-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.31
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 77081226) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID77081226
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCCn1ccnc1CN(C)CCc1cnn(C)c1
InChIInChI=1S/C13H21N5/c1-4-18-8-6-14-13(18)11-16(2)7-5-12-9-15-17(3)10-12/h6,8-10H,4-5,7,11H2,1-3H3
InChIKeyOPNXUOCGQUTJCQ-UHFFFAOYSA-N
XLogP1.31
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 77081226) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CCn1ccnc1CN(C)CCc1cnn(C)c1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is OPNXUOCGQUTJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-4-18-8-6-14-13(18)11-16(2)7-5-12-9-15-17(3)10-12/h6,8-10H,4-5,7,11H2,1-3H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 247.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 77081226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).