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

C15H17ClN4O — CID 6466864

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H17ClN4O/c1-18-14(5-6-17-18)15(21)20-9-7-19(8-10-20)13-4-2-3-12(16)11-13/h2-6,11H,7-10H2,1H3
InChIKeyRLLVWHVHEBYYFK-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.04
Rot. Bonds2

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

[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 6466864) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID6466864
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H17ClN4O/c1-18-14(5-6-17-18)15(21)20-9-7-19(8-10-20)13-4-2-3-12(16)11-13/h2-6,11H,7-10H2,1H3
InChIKeyRLLVWHVHEBYYFK-UHFFFAOYSA-N
XLogP2.04
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 6466864) is [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is RLLVWHVHEBYYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-18-14(5-6-17-18)15(21)20-9-7-19(8-10-20)13-4-2-3-12(16)11-13/h2-6,11H,7-10H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 304.78 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 6466864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).