N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine

C18H23N5 — CID 75427882

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(NCCCc1cnn(C)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H23N5/c1-15(20-9-3-4-16-12-21-22(2)13-16)17-5-7-18(8-6-17)23-11-10-19-14-23/h5-8,10-15,20H,3-4,9H2,1-2H3
InChIKeyXDCLGXSYDGLPSQ-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.89
Rot. Bonds7

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine

N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 75427882) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID75427882
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCC(NCCCc1cnn(C)c1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H23N5/c1-15(20-9-3-4-16-12-21-22(2)13-16)17-5-7-18(8-6-17)23-11-10-19-14-23/h5-8,10-15,20H,3-4,9H2,1-2H3
InChIKeyXDCLGXSYDGLPSQ-UHFFFAOYSA-N
XLogP2.89
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986
1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61351168

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 75427882) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine is CC(NCCCc1cnn(C)c1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is XDCLGXSYDGLPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-15(20-9-3-4-16-12-21-22(2)13-16)17-5-7-18(8-6-17)23-11-10-19-14-23/h5-8,10-15,20H,3-4,9H2,1-2H3.
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 309.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 75427882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).