[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

C22H24N4O2 — CID 20864936

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1
InChIInChI=1S/C22H24N4O2/c1-16-7-9-17(10-8-16)18-15-19(24-23-18)22(27)26-13-11-25(12-14-26)20-5-3-4-6-21(20)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,24)
InChIKeyBTMNKUAAPTWKSB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.36
Rot. Bonds4

About [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 20864936) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID20864936
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1
InChIInChI=1S/C22H24N4O2/c1-16-7-9-17(10-8-16)18-15-19(24-23-18)22(27)26-13-11-25(12-14-26)20-5-3-4-6-21(20)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,24)
InChIKeyBTMNKUAAPTWKSB-UHFFFAOYSA-N
XLogP3.36
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone (CID 20864936) is [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is BTMNKUAAPTWKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-7-9-17(10-8-16)18-15-19(24-23-18)22(27)26-13-11-25(12-14-26)20-5-3-4-6-21(20)28-2/h3-10,15H,11-14H2,1-2H3,(H,23,24).
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 20864936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).