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

C22H23ClN4O2 — CID 3959522

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n(C)n2)c1
InChIInChI=1S/C22H23ClN4O2/c1-25-21(15-19(24-25)16-6-5-7-17(14-16)29-2)22(28)27-12-10-26(11-13-27)20-9-4-3-8-18(20)23/h3-9,14-15H,10-13H2,1-2H3
InChIKeyHQYOEZOEFRRMFT-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.71
Rot. Bonds4

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

[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone (PubChem CID 3959522) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
PubChem CID3959522
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n(C)n2)c1
InChIInChI=1S/C22H23ClN4O2/c1-25-21(15-19(24-25)16-6-5-7-17(14-16)29-2)22(28)27-12-10-26(11-13-27)20-9-4-3-8-18(20)23/h3-9,14-15H,10-13H2,1-2H3
InChIKeyHQYOEZOEFRRMFT-UHFFFAOYSA-N
XLogP3.71
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone (CID 3959522) is [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone is COc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4Cl)CC3)n(C)n2)c1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
The InChIKey is HQYOEZOEFRRMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-25-21(15-19(24-25)16-6-5-7-17(14-16)29-2)22(28)27-12-10-26(11-13-27)20-9-4-3-8-18(20)23/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone has a molecular weight of 410.91 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone is sourced from PubChem (CID 3959522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).