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

C20H21N5O2 — CID 54582923

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1
InChIInChI=1S/C20H21N5O2/c1-27-19-7-3-2-6-18(19)24-9-11-25(12-10-24)20(26)17-13-16(22-23-17)15-5-4-8-21-14-15/h2-8,13-14H,9-12H2,1H3,(H,22,23)
InChIKeyMXFKJSGGUQBBBR-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.44
Rot. Bonds4

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

[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (PubChem CID 54582923) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
PubChem CID54582923
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1
InChIInChI=1S/C20H21N5O2/c1-27-19-7-3-2-6-18(19)24-9-11-25(12-10-24)20(26)17-13-16(22-23-17)15-5-4-8-21-14-15/h2-8,13-14H,9-12H2,1H3,(H,22,23)
InChIKeyMXFKJSGGUQBBBR-UHFFFAOYSA-N
XLogP2.44
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone (CID 54582923) is [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cc(-c3cccnc3)n[nH]2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
The InChIKey is MXFKJSGGUQBBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-27-19-7-3-2-6-18(19)24-9-11-25(12-10-24)20(26)17-13-16(22-23-17)15-5-4-8-21-14-15/h2-8,13-14H,9-12H2,1H3,(H,22,23).
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 54582923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).