(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine

C11H17N5 — CID 106106983

IUPAC(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CCc1ccn(C)n1
InChIInChI=1S/C11H17N5/c1-9(12)11-7-13-8-16(11)6-4-10-3-5-15(2)14-10/h3,5,7-9H,4,6,12H2,1-2H3/t9-/m0/s1
InChIKeyHKOMVGNBDTWCJC-VIFPVBQESA-N
MW219.29 g/mol
LogP0.88
Rot. Bonds4

About (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine

(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine (PubChem CID 106106983) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
PubChem CID106106983
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
SMILESC[C@H](N)c1cncn1CCc1ccn(C)n1
InChIInChI=1S/C11H17N5/c1-9(12)11-7-13-8-16(11)6-4-10-3-5-15(2)14-10/h3,5,7-9H,4,6,12H2,1-2H3/t9-/m0/s1
InChIKeyHKOMVGNBDTWCJC-VIFPVBQESA-N
XLogP0.88
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104943545
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
N-[[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106106680
(1S)-1-[3-(2-aminoethyl)imidazol-4-yl]ethanamine
CID 104942319
(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942632
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036
1-(3-butylimidazol-4-yl)ethanamine
CID 114702792
1-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]ethanamine
CID 106261741
(1S)-1-(3-but-3-ynylimidazol-4-yl)ethanamine
CID 104943123
1-[3-(2,2-dimethylpropyl)imidazol-4-yl]ethanamine
CID 114704468
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294
4-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]piperidine
CID 106106979

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The IUPAC name of (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine (CID 106106983) is (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine.
What is the SMILES notation for (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The canonical SMILES for (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine is C[C@H](N)c1cncn1CCc1ccn(C)n1.
What is the InChIKey of (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
The InChIKey is HKOMVGNBDTWCJC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N5/c1-9(12)11-7-13-8-16(11)6-4-10-3-5-15(2)14-10/h3,5,7-9H,4,6,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine?
(1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine is sourced from PubChem (CID 106106983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).