(4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C16H20N4O — CID 6624283

IUPAC(4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C16H20N4O/c1-13-11-15(18-17-13)16(21)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18)
InChIKeyOFVDQQIRONYPKC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.68
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 6624283) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID6624283
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C16H20N4O/c1-13-11-15(18-17-13)16(21)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18)
InChIKeyOFVDQQIRONYPKC-UHFFFAOYSA-N
XLogP1.68
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 6624283) is (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n[nH]1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is OFVDQQIRONYPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-11-15(18-17-13)16(21)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18).
What are the key properties of (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 6624283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).