[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C24H27ClN4O2 — CID 46583951

IUPAC[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1
InChIInChI=1S/C24H27ClN4O2/c1-17(2)23-20(16-26-29(23)19-8-6-7-18(25)15-19)24(30)28-13-11-27(12-14-28)21-9-4-5-10-22(21)31-3/h4-10,15-17H,11-14H2,1-3H3
InChIKeyRSSWNKOVCLFLBA-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.62
Rot. Bonds5

About [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 46583951) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID46583951
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1
InChIInChI=1S/C24H27ClN4O2/c1-17(2)23-20(16-26-29(23)19-8-6-7-18(25)15-19)24(30)28-13-11-27(12-14-28)21-9-4-5-10-22(21)31-3/h4-10,15-17H,11-14H2,1-3H3
InChIKeyRSSWNKOVCLFLBA-UHFFFAOYSA-N
XLogP4.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110885879
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 43058846
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 31901098
4-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720927
(7-chloroisoquinolin-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 134091245
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 2811414
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 30836120
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30837385
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110885866
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
1-(3-chlorophenyl)-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)pyrazole-4-carbohydrazide
CID 43058699

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 46583951) is [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)CC1.
What is the InChIKey of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is RSSWNKOVCLFLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-17(2)23-20(16-26-29(23)19-8-6-7-18(25)15-19)24(30)28-13-11-27(12-14-28)21-9-4-5-10-22(21)31-3/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 438.96 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 46583951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).