1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine

C24H22N4O2 — CID 51203393

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
SMILESc1ccc(Cn2cc(CNCc3ccc4c(c3)OCO4)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C24H22N4O2/c1-2-5-18(6-3-1)15-28-16-21(24(27-28)20-7-4-10-25-13-20)14-26-12-19-8-9-22-23(11-19)30-17-29-22/h1-11,13,16,26H,12,14-15,17H2
InChIKeyUCETWWBJRICCGH-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.01
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine

1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 51203393) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
PubChem CID51203393
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
SMILESc1ccc(Cn2cc(CNCc3ccc4c(c3)OCO4)c(-c3cccnc3)n2)cc1
InChIInChI=1S/C24H22N4O2/c1-2-5-18(6-3-1)15-28-16-21(24(27-28)20-7-4-10-25-13-20)14-26-12-19-8-9-22-23(11-19)30-17-29-22/h1-11,13,16,26H,12,14-15,17H2
InChIKeyUCETWWBJRICCGH-UHFFFAOYSA-N
XLogP4.01
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

1-[4-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]phenyl]pyrrolidin-2-one
CID 26690189
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51923541
1-(1,3-benzodioxol-5-yl)-N-[(2-benzyl-5-phenyltriazol-4-yl)methyl]methanamine
CID 124811710
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 52672336
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 119125389
2-[[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122073025
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 51126327
N-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]-N-ethylethanamine
CID 70775023
(1R)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 27655061
(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 52501408
N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 86974955
(1S)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(2-bromophenyl)ethanamine
CID 27655096

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine (CID 51203393) is 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine is c1ccc(Cn2cc(CNCc3ccc4c(c3)OCO4)c(-c3cccnc3)n2)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is UCETWWBJRICCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-5-18(6-3-1)15-28-16-21(24(27-28)20-7-4-10-25-13-20)14-26-12-19-8-9-22-23(11-19)30-17-29-22/h1-11,13,16,26H,12,14-15,17H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine?
1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 398.47 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 51203393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).