1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

C16H19N5 — CID 103905169

IUPAC1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1cn[nH]c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H19N5/c1-12(20-13(2)15-9-18-19-10-15)14-3-5-16(6-4-14)21-8-7-17-11-21/h3-13,20H,1-2H3,(H,18,19)
InChIKeyHIHXEHFHAOBPFO-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine

1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (PubChem CID 103905169) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
PubChem CID103905169
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
SMILESCC(NC(C)c1cn[nH]c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H19N5/c1-12(20-13(2)15-9-18-19-10-15)14-3-5-16(6-4-14)21-8-7-17-11-21/h3-13,20H,1-2H3,(H,18,19)
InChIKeyHIHXEHFHAOBPFO-UHFFFAOYSA-N
XLogP3.01
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine
CID 43539832
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
CID 64603200
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
N-[1-(4-imidazol-1-ylphenyl)ethyl]pent-4-yn-2-amine
CID 115725305
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
CID 115725692
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine (CID 103905169) is 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is CC(NC(C)c1cn[nH]c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
The InChIKey is HIHXEHFHAOBPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12(20-13(2)15-9-18-19-10-15)14-3-5-16(6-4-14)21-8-7-17-11-21/h3-13,20H,1-2H3,(H,18,19).
What are the key properties of 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine?
1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 103905169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).