1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine

C12H19N5 — CID 102812630

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCc1nn(C)cc1C(N)Cc1nccn1C
InChIInChI=1S/C12H19N5/c1-4-11-9(8-17(3)15-11)10(13)7-12-14-5-6-16(12)2/h5-6,8,10H,4,7,13H2,1-3H3
InChIKeyCHDFUHJTDMEGHL-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.96
Rot. Bonds4

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 102812630) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID102812630
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCCc1nn(C)cc1C(N)Cc1nccn1C
InChIInChI=1S/C12H19N5/c1-4-11-9(8-17(3)15-11)10(13)7-12-14-5-6-16(12)2/h5-6,8,10H,4,7,13H2,1-3H3
InChIKeyCHDFUHJTDMEGHL-UHFFFAOYSA-N
XLogP0.96
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-(1-methylimidazol-2-yl)methanamine
CID 102812396
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 102812906
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
1-(4-ethylthiadiazol-5-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167023
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064883
1-(1,3-diethylpyrazol-5-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167093
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 102812078
2-(3-bromophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102811982
1-(2,4-dibromophenyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 114019331

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine (CID 102812630) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine is CCc1nn(C)cc1C(N)Cc1nccn1C.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is CHDFUHJTDMEGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-11-9(8-17(3)15-11)10(13)7-12-14-5-6-16(12)2/h5-6,8,10H,4,7,13H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 233.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 102812630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).