1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

C21H22N6 — CID 47615231

IUPAC1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2cccc(Cn3ccnc3)c2)c(-c2ccncc2)n1
InChIInChI=1S/C21H22N6/c1-26-15-20(21(25-26)19-5-7-22-8-6-19)13-24-12-17-3-2-4-18(11-17)14-27-10-9-23-16-27/h2-11,15-16,24H,12-14H2,1H3
InChIKeyVHPIIDMNZMYQNB-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.02
Rot. Bonds7

About 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine

1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 47615231) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
PubChem CID47615231
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
SMILESCn1cc(CNCc2cccc(Cn3ccnc3)c2)c(-c2ccncc2)n1
InChIInChI=1S/C21H22N6/c1-26-15-20(21(25-26)19-5-7-22-8-6-19)13-24-12-17-3-2-4-18(11-17)14-27-10-9-23-16-27/h2-11,15-16,24H,12-14H2,1H3
InChIKeyVHPIIDMNZMYQNB-UHFFFAOYSA-N
XLogP3.02
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47611472
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47614231
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 71913521
1-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 86831480
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
1-[(4-chlorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 111131939
N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide
CID 47613149
1-[4-(benzimidazol-1-yl)phenyl]-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]methanamine
CID 78870397
1-[4-(imidazol-1-ylmethyl)phenyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 51114927

Frequently Asked Questions

What is the IUPAC name of 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine (CID 47615231) is 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is Cn1cc(CNCc2cccc(Cn3ccnc3)c2)c(-c2ccncc2)n1.
What is the InChIKey of 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is VHPIIDMNZMYQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-26-15-20(21(25-26)19-5-7-22-8-6-19)13-24-12-17-3-2-4-18(11-17)14-27-10-9-23-16-27/h2-11,15-16,24H,12-14H2,1H3.
What are the key properties of 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine?
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 358.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 47615231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).