1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine

C21H24N4 — CID 17496707

IUPAC1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
SMILESCc1ccccc1N1CCN(Cc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C21H24N4/c1-18-5-2-3-6-21(18)24-15-13-23(14-16-24)17-19-7-9-20(10-8-19)25-12-4-11-22-25/h2-12H,13-17H2,1H3
InChIKeyLBSCYPNHIWPYBT-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.50
Rot. Bonds4

About 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine

1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine (PubChem CID 17496707) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
PubChem CID17496707
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
SMILESCc1ccccc1N1CCN(Cc2ccc(-n3cccn3)cc2)CC1
InChIInChI=1S/C21H24N4/c1-18-5-2-3-6-21(18)24-15-13-23(14-16-24)17-19-7-9-20(10-8-19)25-12-4-11-22-25/h2-12H,13-17H2,1H3
InChIKeyLBSCYPNHIWPYBT-UHFFFAOYSA-N
XLogP3.50
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine 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

1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 112801173
1-[(4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazine
CID 1377218
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine;dihydrobromide
CID 142643740
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315
4-methyl-6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 50979339
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
1-(2-methylphenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 1376375
1-(2-methoxyphenyl)-4-[(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazine
CID 28955712
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(2-methylphenyl)piperazine
CID 4997131

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The IUPAC name of 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine (CID 17496707) is 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine is Cc1ccccc1N1CCN(Cc2ccc(-n3cccn3)cc2)CC1.
What is the InChIKey of 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The InChIKey is LBSCYPNHIWPYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-18-5-2-3-6-21(18)24-15-13-23(14-16-24)17-19-7-9-20(10-8-19)25-12-4-11-22-25/h2-12H,13-17H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine has a molecular weight of 332.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine is sourced from PubChem (CID 17496707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).