[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

C21H23N5O2 — CID 75528114

IUPAC[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4ccc(C)nc4)CC3)n[nH]2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-3-4-17(14-22-15)21(27)26-11-9-25(10-12-26)20-13-19(23-24-20)16-5-7-18(28-2)8-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)
InChIKeyMEKZOPAQDMGTJW-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.75
Rot. Bonds4

About [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 75528114) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID75528114
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(-c2cc(N3CCN(C(=O)c4ccc(C)nc4)CC3)n[nH]2)cc1
InChIInChI=1S/C21H23N5O2/c1-15-3-4-17(14-22-15)21(27)26-11-9-25(10-12-26)20-13-19(23-24-20)16-5-7-18(28-2)8-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)
InChIKeyMEKZOPAQDMGTJW-UHFFFAOYSA-N
XLogP2.75
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 75528114) is [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is COc1ccc(-c2cc(N3CCN(C(=O)c4ccc(C)nc4)CC3)n[nH]2)cc1.
What is the InChIKey of [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is MEKZOPAQDMGTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-3-4-17(14-22-15)21(27)26-11-9-25(10-12-26)20-13-19(23-24-20)16-5-7-18(28-2)8-6-16/h3-8,13-14H,9-12H2,1-2H3,(H,23,24).
What are the key properties of [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 75528114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).