1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine

C20H28N4 — CID 56881894

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(Cc2cnn(C)c2C2CC2)CC1
InChIInChI=1S/C20H28N4/c1-16-5-3-4-6-18(16)14-23-9-11-24(12-10-23)15-19-13-21-22(2)20(19)17-7-8-17/h3-6,13,17H,7-12,14-15H2,1-2H3
InChIKeyFSDXUNNZDUYXLC-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.92
Rot. Bonds5

About 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine

1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine (PubChem CID 56881894) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine
PubChem CID56881894
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1CN1CCN(Cc2cnn(C)c2C2CC2)CC1
InChIInChI=1S/C20H28N4/c1-16-5-3-4-6-18(16)14-23-9-11-24(12-10-23)15-19-13-21-22(2)20(19)17-7-8-17/h3-6,13,17H,7-12,14-15H2,1-2H3
InChIKeyFSDXUNNZDUYXLC-UHFFFAOYSA-N
XLogP2.92
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)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

2-[2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 146140694
4-bromo-2-methyl-5-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 155544430
1-[(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95870310
(3S,4R)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(3-methylthiophen-2-yl)piperidin-3-ol
CID 50965664
4-(4-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18686313
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
(9aR)-2-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 98740572
3-[[1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]oxymethyl]pyridine
CID 56913051
(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
CID 171340448
4-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-ol
CID 146140643
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55867113
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine (CID 56881894) is 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine is Cc1ccccc1CN1CCN(Cc2cnn(C)c2C2CC2)CC1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
The InChIKey is FSDXUNNZDUYXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-16-5-3-4-6-18(16)14-23-9-11-24(12-10-23)15-19-13-21-22(2)20(19)17-7-8-17/h3-6,13,17H,7-12,14-15H2,1-2H3.
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine?
1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine has a molecular weight of 324.47 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-[(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 56881894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).