(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

C29H30N4O — CID 19478030

IUPAC(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)CC2)c1
InChIInChI=1S/C29H30N4O/c1-22-10-9-11-24(20-22)21-31-16-18-32(19-17-31)29(34)27-23(2)33(26-14-7-4-8-15-26)30-28(27)25-12-5-3-6-13-25/h3-15,20H,16-19,21H2,1-2H3
InChIKeyXVCRHBSJCJHDSZ-UHFFFAOYSA-N
MW450.59 g/mol
LogP5.11
Rot. Bonds5

About (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19478030) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID19478030
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC Name(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)CC2)c1
InChIInChI=1S/C29H30N4O/c1-22-10-9-11-24(20-22)21-31-16-18-32(19-17-31)29(34)27-23(2)33(26-14-7-4-8-15-26)30-28(27)25-12-5-3-6-13-25/h3-15,20H,16-19,21H2,1-2H3
InChIKeyXVCRHBSJCJHDSZ-UHFFFAOYSA-N
XLogP5.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-(5-methyl-1,3-diphenylpyrazol-4-yl)methanone
CID 19478034
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 31363447
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473
(5-methyl-1,3-diphenylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 3079318
N,5-dimethyl-N-[(3-methylphenyl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 143069710
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 55465377
4-methyl-1-(5-methyl-1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 42331686
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 46655050
1-methyl-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carboxylic acid
CID 19498274
(1-benzyl-3,5-dimethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 9041474

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 19478030) is (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cccc(CN2CCN(C(=O)c3c(-c4ccccc4)nn(-c4ccccc4)c3C)CC2)c1.
What is the InChIKey of (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XVCRHBSJCJHDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-22-10-9-11-24(20-22)21-31-16-18-32(19-17-31)29(34)27-23(2)33(26-14-7-4-8-15-26)30-28(27)25-12-5-3-6-13-25/h3-15,20H,16-19,21H2,1-2H3.
What are the key properties of (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
(5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 450.59 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-diphenylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19478030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).