3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine

C24H27N5 — CID 42197487

IUPAC3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1ccc(-n2cc(CNCCCn3ccnc3)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H27N5/c1-19-7-9-23(10-8-19)29-17-22(16-25-11-4-13-28-14-12-26-18-28)24(27-29)21-6-3-5-20(2)15-21/h3,5-10,12,14-15,17-18,25H,4,11,13,16H2,1-2H3
InChIKeyRLEAOZYUQHGJPP-UHFFFAOYSA-N
MW385.52 g/mol
LogP4.53
Rot. Bonds8

About 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine

3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 42197487) has the molecular formula C24H27N5 and a molecular weight of 385.52 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID42197487
Molecular FormulaC24H27N5
Molecular Weight385.52 g/mol
Exact Mass385.23
IUPAC Name3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCc1ccc(-n2cc(CNCCCn3ccnc3)c(-c3cccc(C)c3)n2)cc1
InChIInChI=1S/C24H27N5/c1-19-7-9-23(10-8-19)29-17-22(16-25-11-4-13-28-14-12-26-18-28)24(27-29)21-6-3-5-20(2)15-21/h3,5-10,12,14-15,17-18,25H,4,11,13,16H2,1-2H3
InChIKeyRLEAOZYUQHGJPP-UHFFFAOYSA-N
XLogP4.53
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 54.53
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-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-2-(triazolidin-4-ylsulfanyl)ethanamine
CID 52974860
3-imidazol-1-yl-N-[[2-[(4-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]propan-1-amine
CID 125115068
N-(4-imidazol-1-ylbutyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 55976787
4-imidazol-1-yl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 61069061
(2S)-2-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methylamino]propanamide
CID 29181710
3-imidazol-1-yl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156523
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79578880
N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 46954909
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]propan-1-amine;oxalic acid
CID 17052939
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine (CID 42197487) is 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine is Cc1ccc(-n2cc(CNCCCn3ccnc3)c(-c3cccc(C)c3)n2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is RLEAOZYUQHGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-19-7-9-23(10-8-19)29-17-22(16-25-11-4-13-28-14-12-26-18-28)24(27-29)21-6-3-5-20(2)15-21/h3,5-10,12,14-15,17-18,25H,4,11,13,16H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine?
3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 385.52 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 42197487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).