N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine

C24H30N4 — CID 45228835

IUPACN-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine
SMILESCc1c(CNCC2(N(C)Cc3ccccc3)Cc3ccccc3C2)cnn1C
InChIInChI=1S/C24H30N4/c1-19-23(16-26-28(19)3)15-25-18-24(13-21-11-7-8-12-22(21)14-24)27(2)17-20-9-5-4-6-10-20/h4-12,16,25H,13-15,17-18H2,1-3H3
InChIKeyOZJVDULLELLGCW-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.49
Rot. Bonds7

About N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine

N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine (PubChem CID 45228835) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine.

Molecular Properties

Compound NameN-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine
PubChem CID45228835
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC NameN-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine
SMILESCc1c(CNCC2(N(C)Cc3ccccc3)Cc3ccccc3C2)cnn1C
InChIInChI=1S/C24H30N4/c1-19-23(16-26-28(19)3)15-25-18-24(13-21-11-7-8-12-22(21)14-24)27(2)17-20-9-5-4-6-10-20/h4-12,16,25H,13-15,17-18H2,1-3H3
InChIKeyOZJVDULLELLGCW-UHFFFAOYSA-N
XLogP3.49
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine?
The IUPAC name of N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine (CID 45228835) is N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine.
What is the SMILES notation for N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine?
The canonical SMILES for N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine is Cc1c(CNCC2(N(C)Cc3ccccc3)Cc3ccccc3C2)cnn1C.
What is the InChIKey of N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine?
The InChIKey is OZJVDULLELLGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-19-23(16-26-28(19)3)15-25-18-24(13-21-11-7-8-12-22(21)14-24)27(2)17-20-9-5-4-6-10-20/h4-12,16,25H,13-15,17-18H2,1-3H3.
What are the key properties of N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine?
N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine has a molecular weight of 374.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-N-methyl-1,3-dihydroinden-2-amine is sourced from PubChem (CID 45228835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).