(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine

C12H19N5 — CID 104943360

IUPAC(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
SMILESCc1nn(C)c(C)c1Cn1cncc1[C@@H](C)N
InChIInChI=1S/C12H19N5/c1-8(13)12-5-14-7-17(12)6-11-9(2)15-16(4)10(11)3/h5,7-8H,6,13H2,1-4H3/t8-/m1/s1
InChIKeyMPUUGEUVYJJCFR-MRVPVSSYSA-N
MW233.32 g/mol
LogP1.30
Rot. Bonds3

About (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine

(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 104943360) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID104943360
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
SMILESCc1nn(C)c(C)c1Cn1cncc1[C@@H](C)N
InChIInChI=1S/C12H19N5/c1-8(13)12-5-14-7-17(12)6-11-9(2)15-16(4)10(11)3/h5,7-8H,6,13H2,1-4H3/t8-/m1/s1
InChIKeyMPUUGEUVYJJCFR-MRVPVSSYSA-N
XLogP1.30
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 114706579
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
2-methyl-N-[[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79238144
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104943545
(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 104943054
1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114704901
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine (CID 104943360) is (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine is Cc1nn(C)c(C)c1Cn1cncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is MPUUGEUVYJJCFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8(13)12-5-14-7-17(12)6-11-9(2)15-16(4)10(11)3/h5,7-8H,6,13H2,1-4H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine?
(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).