1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine

C11H17N5 — CID 114705428

IUPAC1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1C(C)Cn1cccn1
InChIInChI=1S/C11H17N5/c1-9(7-15-5-3-4-14-15)16-8-13-6-11(16)10(2)12/h3-6,8-10H,7,12H2,1-2H3
InChIKeyNTHMDWGWCXQPKA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.36
Rot. Bonds4

About 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine

1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine (PubChem CID 114705428) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine
PubChem CID114705428
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1C(C)Cn1cccn1
InChIInChI=1S/C11H17N5/c1-9(7-15-5-3-4-14-15)16-8-13-6-11(16)10(2)12/h3-6,8-10H,7,12H2,1-2H3
InChIKeyNTHMDWGWCXQPKA-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
1-[3-(1-methoxypropan-2-yl)imidazol-4-yl]ethanamine
CID 114702976
(1S)-1-[3-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]ethanamine
CID 104943181
1-[3-(4-methoxybutan-2-yl)imidazol-4-yl]ethanamine
CID 114706503
(1R)-1-[3-[1-(furan-2-yl)propan-2-yl]imidazol-4-yl]propan-1-amine
CID 104942476
(1R)-1-[3-(1-piperidin-1-ylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 104942805
1-(3-octan-4-ylimidazol-4-yl)ethanamine
CID 106022203
2-[1-(1-pyrazol-1-ylpropan-2-yl)imidazol-2-yl]sulfanylacetic acid
CID 54951396
1-(3-but-3-en-2-ylimidazol-4-yl)ethanamine
CID 114707390
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
3-(1-pyrazol-1-ylpropan-2-yl)benzimidazole-5-carboxylic acid
CID 82791147
3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50959268

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine (CID 114705428) is 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine is CC(N)c1cncn1C(C)Cn1cccn1.
What is the InChIKey of 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is NTHMDWGWCXQPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(7-15-5-3-4-14-15)16-8-13-6-11(16)10(2)12/h3-6,8-10H,7,12H2,1-2H3.
What are the key properties of 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine?
1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 219.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114705428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).