[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone

C24H28N4O — CID 8852508

IUPAC[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)CC1
InChIInChI=1S/C24H28N4O/c1-3-13-26-14-16-27(17-15-26)24(29)22-18-28(20-10-5-4-6-11-20)25-23(22)21-12-8-7-9-19(21)2/h4-12,18H,3,13-17H2,1-2H3
InChIKeyRJIAWBFANISNRC-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.02
Rot. Bonds5

About [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone

[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone (PubChem CID 8852508) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
PubChem CID8852508
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone
SMILESCCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)CC1
InChIInChI=1S/C24H28N4O/c1-3-13-26-14-16-27(17-15-26)24(29)22-18-28(20-10-5-4-6-11-20)25-23(22)21-12-8-7-9-19(21)2/h4-12,18H,3,13-17H2,1-2H3
InChIKeyRJIAWBFANISNRC-UHFFFAOYSA-N
XLogP4.02
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-[3-(2-methylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]acetamide
CID 17404093
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460519
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methanone;hydrochloride
CID 119635418
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methanone
CID 45356108
2-[4-[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 31428063
(2-hydroxyphenyl)-[4-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 55849955
[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563312
4-[[4-[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzamide
CID 112827519
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
(1,3-diphenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226122
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763080
1-[4-[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202210

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone?
The IUPAC name of [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone (CID 8852508) is [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone is CCCN1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)CC1.
What is the InChIKey of [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone?
The InChIKey is RJIAWBFANISNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-13-26-14-16-27(17-15-26)24(29)22-18-28(20-10-5-4-6-11-20)25-23(22)21-12-8-7-9-19(21)2/h4-12,18H,3,13-17H2,1-2H3.
What are the key properties of [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone?
[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone has a molecular weight of 388.52 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylphenyl)-1-phenylpyrazol-4-yl]-(4-propylpiperazin-1-yl)methanone is sourced from PubChem (CID 8852508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).