[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone

C30H28N4O — CID 155561836

IUPAC[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)N2CCN(C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C30H28N4O/c1-22-20-31-34(21-22)30(35)33-16-14-32(15-17-33)29(27-12-10-23-6-2-4-8-25(23)18-27)28-13-11-24-7-3-5-9-26(24)19-28/h2-13,18-21,29H,14-17H2,1H3
InChIKeyCRVFTNJJDRGAJH-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.87
Rot. Bonds3

About [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone

[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone (PubChem CID 155561836) has the molecular formula C30H28N4O and a molecular weight of 460.58 g/mol. Its IUPAC name is [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
PubChem CID155561836
Molecular FormulaC30H28N4O
Molecular Weight460.58 g/mol
Exact Mass460.23
IUPAC Name[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)N2CCN(C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)CC2)c1
InChIInChI=1S/C30H28N4O/c1-22-20-31-34(21-22)30(35)33-16-14-32(15-17-33)29(27-12-10-23-6-2-4-8-25(23)18-27)28-13-11-24-7-3-5-9-26(24)19-28/h2-13,18-21,29H,14-17H2,1H3
InChIKeyCRVFTNJJDRGAJH-UHFFFAOYSA-N
XLogP5.87
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone (CID 155561836) is [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)N2CCN(C(c3ccc4ccccc4c3)c3ccc4ccccc4c3)CC2)c1.
What is the InChIKey of [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone?
The InChIKey is CRVFTNJJDRGAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O/c1-22-20-31-34(21-22)30(35)33-16-14-32(15-17-33)29(27-12-10-23-6-2-4-8-25(23)18-27)28-13-11-24-7-3-5-9-26(24)19-28/h2-13,18-21,29H,14-17H2,1H3.
What are the key properties of [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone?
[4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone has a molecular weight of 460.58 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dinaphthalen-2-ylmethyl)piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 155561836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).