[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

C22H24N4O — CID 9162740

IUPAC[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H24N4O/c1-18-7-5-6-8-19(18)16-24-11-13-25(14-12-24)22(27)20-15-23-26(17-20)21-9-3-2-4-10-21/h2-10,15,17H,11-14,16H2,1H3
InChIKeyTWOLWGVMPGXGQO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.14
Rot. Bonds4

About [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (PubChem CID 9162740) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
PubChem CID9162740
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
SMILESCc1ccccc1CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H24N4O/c1-18-7-5-6-8-19(18)16-24-11-13-25(14-12-24)22(27)20-15-23-26(17-20)21-9-3-2-4-10-21/h2-10,15,17H,11-14,16H2,1H3
InChIKeyTWOLWGVMPGXGQO-UHFFFAOYSA-N
XLogP3.14
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576
[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 37131059
(4-benzhydrylpiperazin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 9041268
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547588
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 8641686
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The IUPAC name of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone (CID 9162740) is [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is Cc1ccccc1CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1.
What is the InChIKey of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
The InChIKey is TWOLWGVMPGXGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-18-7-5-6-8-19(18)16-24-11-13-25(14-12-24)22(27)20-15-23-26(17-20)21-9-3-2-4-10-21/h2-10,15,17H,11-14,16H2,1H3.
What are the key properties of [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone?
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone is sourced from PubChem (CID 9162740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).