2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine

C19H23N5 — CID 46989004

IUPAC2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine
SMILESC=CCn1cc(CNC(Cn2ccnc2)c2ccccc2)c(C)n1
InChIInChI=1S/C19H23N5/c1-3-10-24-13-18(16(2)22-24)12-21-19(14-23-11-9-20-15-23)17-7-5-4-6-8-17/h3-9,11,13,15,19,21H,1,10,12,14H2,2H3
InChIKeyJLWLJQVJZXTMAB-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.11
Rot. Bonds8

About 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine

2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine (PubChem CID 46989004) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine
PubChem CID46989004
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine
SMILESC=CCn1cc(CNC(Cn2ccnc2)c2ccccc2)c(C)n1
InChIInChI=1S/C19H23N5/c1-3-10-24-13-18(16(2)22-24)12-21-19(14-23-11-9-20-15-23)17-7-5-4-6-8-17/h3-9,11,13,15,19,21H,1,10,12,14H2,2H3
InChIKeyJLWLJQVJZXTMAB-UHFFFAOYSA-N
XLogP3.11
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 166187485
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-(1-phenylpyrazol-4-yl)ethanamine
CID 46993306
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 97279933
N-[1-(4-fluorophenyl)-2-imidazol-1-ylethyl]-2-methylbut-3-en-1-amine
CID 166310142
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-yl)propan-1-amine
CID 46995894
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 115767647

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine?
The IUPAC name of 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine (CID 46989004) is 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine is C=CCn1cc(CNC(Cn2ccnc2)c2ccccc2)c(C)n1.
What is the InChIKey of 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine?
The InChIKey is JLWLJQVJZXTMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-3-10-24-13-18(16(2)22-24)12-21-19(14-23-11-9-20-15-23)17-7-5-4-6-8-17/h3-9,11,13,15,19,21H,1,10,12,14H2,2H3.
What are the key properties of 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine?
2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine has a molecular weight of 321.43 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-phenylethanamine is sourced from PubChem (CID 46989004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).