N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine

C22H25N3 — CID 11695647

IUPACN-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
SMILESCN(CCC1CCc2c1cnn2-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H25N3/c1-24(17-18-8-4-2-5-9-18)15-14-19-12-13-22-21(19)16-23-25(22)20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3
InChIKeyBBZWNFNLVSNYKT-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.42
Rot. Bonds6

About N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine

N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine (PubChem CID 11695647) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
PubChem CID11695647
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
SMILESCN(CCC1CCc2c1cnn2-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H25N3/c1-24(17-18-8-4-2-5-9-18)15-14-19-12-13-22-21(19)16-23-25(22)20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3
InChIKeyBBZWNFNLVSNYKT-UHFFFAOYSA-N
XLogP4.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine?
The IUPAC name of N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine (CID 11695647) is N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine?
The canonical SMILES for N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine is CN(CCC1CCc2c1cnn2-c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine?
The InChIKey is BBZWNFNLVSNYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-24(17-18-8-4-2-5-9-18)15-14-19-12-13-22-21(19)16-23-25(22)20-10-6-3-7-11-20/h2-11,16,19H,12-15,17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine?
N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine has a molecular weight of 331.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine is sourced from PubChem (CID 11695647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).