N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine

C12H19N5 — CID 82878256

IUPACN-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccn(C)n1
InChIInChI=1S/C12H19N5/c1-4-13-12(11-6-8-17(3)15-11)9-10-5-7-16(2)14-10/h5-8,12-13H,4,9H2,1-3H3
InChIKeyHELLVWKXDWDAAG-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.05
Rot. Bonds5

About N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine

N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine (PubChem CID 82878256) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
PubChem CID82878256
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C)n1)c1ccn(C)n1
InChIInChI=1S/C12H19N5/c1-4-13-12(11-6-8-17(3)15-11)9-10-5-7-16(2)14-10/h5-8,12-13H,4,9H2,1-3H3
InChIKeyHELLVWKXDWDAAG-UHFFFAOYSA-N
XLogP1.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 107976951
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)ethanamine
CID 82876819
N-ethyl-2-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65479181
N-ethyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876707
N-ethyl-1-(furan-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82878243
N-ethyl-2-(2-methylphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200329
2-(2,6-dichlorophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200586
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200899
1-(3,4-dichlorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877569
2-(2-bromophenyl)-N-ethyl-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200168
N-ethyl-2-(1-methylpyrazol-3-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 105025235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine (CID 82878256) is N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine is CCNC(Cc1ccn(C)n1)c1ccn(C)n1.
What is the InChIKey of N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is HELLVWKXDWDAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-13-12(11-6-8-17(3)15-11)9-10-5-7-16(2)14-10/h5-8,12-13H,4,9H2,1-3H3.
What are the key properties of N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine?
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82878256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).