2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine

C12H19N5 — CID 114250840

IUPAC2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCCn1ccc(-n2cncc2C(C)(C)NC)n1
InChIInChI=1S/C12H19N5/c1-5-16-7-6-11(15-16)17-9-14-8-10(17)12(2,3)13-4/h6-9,13H,5H2,1-4H3
InChIKeyIOFOETVIPABSQI-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.54
Rot. Bonds4

About 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine

2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine (PubChem CID 114250840) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
PubChem CID114250840
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
SMILESCCn1ccc(-n2cncc2C(C)(C)NC)n1
InChIInChI=1S/C12H19N5/c1-5-16-7-6-11(15-16)17-9-14-8-10(17)12(2,3)13-4/h6-9,13H,5H2,1-4H3
InChIKeyIOFOETVIPABSQI-UHFFFAOYSA-N
XLogP1.54
TPSA47.67 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(3-pentan-3-ylimidazol-4-yl)propan-2-amine
CID 114708037
2-[3-(2-chloro-5-fluorophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 107531998
2-[3-(2,5-dibromophenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708174
N-methyl-2-[3-(2,4,5-trifluorophenyl)imidazol-4-yl]propan-2-amine
CID 114708258
2-[3-(3-butan-2-yloxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708232
4-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzene-1,2-dicarbonitrile
CID 107795786
2-[3-(1-methoxy-2-methylpropan-2-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114708434
1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole
CID 114250843
2-[3-[2-(difluoromethoxy)phenyl]imidazol-4-yl]-N-methylpropan-2-amine
CID 114708064
N-methyl-2-(3-propan-2-ylimidazol-4-yl)propan-2-amine
CID 114708057
N-methyl-2-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]acetamide
CID 114707928
4-methyl-3-[5-[2-(methylamino)propan-2-yl]imidazol-1-yl]benzonitrile
CID 114708243

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine (CID 114250840) is 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine is CCn1ccc(-n2cncc2C(C)(C)NC)n1.
What is the InChIKey of 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine?
The InChIKey is IOFOETVIPABSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-5-16-7-6-11(15-16)17-9-14-8-10(17)12(2,3)13-4/h6-9,13H,5H2,1-4H3.
What are the key properties of 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine?
2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 114250840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).