[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone

C26H26N4O — CID 46920455

IUPAC[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc45)n[nH]3)CC2)c(C)c1
InChIInChI=1S/C26H26N4O/c1-18-10-11-25(19(2)16-18)29-12-14-30(15-13-29)26(31)24-17-23(27-28-24)22-9-5-7-20-6-3-4-8-21(20)22/h3-11,16-17H,12-15H2,1-2H3,(H,27,28)
InChIKeyAKTCRUIEJWGQDC-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.81
Rot. Bonds3

About [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone

[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone (PubChem CID 46920455) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
PubChem CID46920455
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc45)n[nH]3)CC2)c(C)c1
InChIInChI=1S/C26H26N4O/c1-18-10-11-25(19(2)16-18)29-12-14-30(15-13-29)26(31)24-17-23(27-28-24)22-9-5-7-20-6-3-4-8-21(20)22/h3-11,16-17H,12-15H2,1-2H3,(H,27,28)
InChIKeyAKTCRUIEJWGQDC-UHFFFAOYSA-N
XLogP4.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-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

Related Compounds

[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414
2-[4-(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-N-propylacetamide
CID 51046503
(3-amino-1H-pyrazol-5-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 64523270
[4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 20910921
2-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-3H-quinazolin-4-one
CID 135895971
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone
CID 46920454
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 78794978
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(1H-pyrrolo[3,2-h]quinolin-2-yl)methanone
CID 20925618
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
CID 20906489
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20953310

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone (CID 46920455) is [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone is Cc1ccc(N2CCN(C(=O)c3cc(-c4cccc5ccccc45)n[nH]3)CC2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is AKTCRUIEJWGQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-10-11-25(19(2)16-18)29-12-14-30(15-13-29)26(31)24-17-23(27-28-24)22-9-5-7-20-6-3-4-8-21(20)22/h3-11,16-17H,12-15H2,1-2H3,(H,27,28).
What are the key properties of [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone?
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 410.52 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)piperazin-1-yl]-(3-naphthalen-1-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 46920455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).