(4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone

C16H20N4O — CID 118526594

IUPAC(4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C16H20N4O/c1-14-11-17-20(12-14)16(21)19-9-7-18(8-10-19)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyDMCUEJQOGMGYGQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.98
Rot. Bonds2

About (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone

(4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone (PubChem CID 118526594) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
PubChem CID118526594
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
SMILESCc1cnn(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C16H20N4O/c1-14-11-17-20(12-14)16(21)19-9-7-18(8-10-19)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyDMCUEJQOGMGYGQ-UHFFFAOYSA-N
XLogP1.98
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone (CID 118526594) is (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone is Cc1cnn(C(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone?
The InChIKey is DMCUEJQOGMGYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-14-11-17-20(12-14)16(21)19-9-7-18(8-10-19)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone?
(4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone is sourced from PubChem (CID 118526594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).