[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

C20H21ClN6O2 — CID 86958922

IUPAC[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3C)CC2)n1
InChIInChI=1S/C20H21ClN6O2/c1-14-17(11-23-27(14)16-5-3-4-15(21)10-16)20(28)26-8-6-25(7-9-26)18-12-22-13-19(24-18)29-2/h3-5,10-13H,6-9H2,1-2H3
InChIKeyQPZRWUHNNUITKP-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.60
Rot. Bonds4

About [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 86958922) has the molecular formula C20H21ClN6O2 and a molecular weight of 412.88 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID86958922
Molecular FormulaC20H21ClN6O2
Molecular Weight412.88 g/mol
Exact Mass412.14
IUPAC Name[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3C)CC2)n1
InChIInChI=1S/C20H21ClN6O2/c1-14-17(11-23-27(14)16-5-3-4-15(21)10-16)20(28)26-8-6-25(7-9-26)18-12-22-13-19(24-18)29-2/h3-5,10-13H,6-9H2,1-2H3
InChIKeyQPZRWUHNNUITKP-UHFFFAOYSA-N
XLogP2.60
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 31901098
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958860
[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-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31852143
[1-(3-chlorophenyl)cyclobutyl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958892
[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958964
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46583951
2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 78852489
2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55581996
[1-(3-chlorophenyl)-5-ethylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31853159
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 31976775

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (CID 86958922) is [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is COc1cncc(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)c3C)CC2)n1.
What is the InChIKey of [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is QPZRWUHNNUITKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O2/c1-14-17(11-23-27(14)16-5-3-4-15(21)10-16)20(28)26-8-6-25(7-9-26)18-12-22-13-19(24-18)29-2/h3-5,10-13H,6-9H2,1-2H3.
What are the key properties of [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 412.88 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86958922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).