(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine

C10H15N5 — CID 104943545

IUPAC(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1Cc1ccn(C)n1
InChIInChI=1S/C10H15N5/c1-8(11)10-5-12-7-15(10)6-9-3-4-14(2)13-9/h3-5,7-8H,6,11H2,1-2H3/t8-/m1/s1
InChIKeyFXKZHCILHQFJPU-MRVPVSSYSA-N
MW205.27 g/mol
LogP0.68
Rot. Bonds3

About (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine

(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine (PubChem CID 104943545) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
PubChem CID104943545
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1Cc1ccn(C)n1
InChIInChI=1S/C10H15N5/c1-8(11)10-5-12-7-15(10)6-9-3-4-14(2)13-9/h3-5,7-8H,6,11H2,1-2H3/t8-/m1/s1
InChIKeyFXKZHCILHQFJPU-MRVPVSSYSA-N
XLogP0.68
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 106106983
(1S)-1-[3-(pyridazin-3-ylmethyl)imidazol-4-yl]ethanamine
CID 106898402
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82875940
1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 114706579
(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942632
(1R)-1-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]ethanamine
CID 104943054
(1R)-1-[3-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazol-4-yl]ethanamine
CID 104943360
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine (CID 104943545) is (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1Cc1ccn(C)n1.
What is the InChIKey of (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
The InChIKey is FXKZHCILHQFJPU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N5/c1-8(11)10-5-12-7-15(10)6-9-3-4-14(2)13-9/h3-5,7-8H,6,11H2,1-2H3/t8-/m1/s1.
What are the key properties of (1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine?
(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine has a molecular weight of 205.27 g/mol, XLogP of 0.68, 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-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).