(4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone

C15H26N4O2 — CID 75370953

IUPAC(4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone
SMILESCOc1c(C(=O)N2CCN(C(C)(C)C)CC2)c(C)nn1C
InChIInChI=1S/C15H26N4O2/c1-11-12(14(21-6)17(5)16-11)13(20)18-7-9-19(10-8-18)15(2,3)4/h7-10H2,1-6H3
InChIKeyVYIWVZIVTKYECX-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.29
Rot. Bonds2

About (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone

(4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone (PubChem CID 75370953) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone
PubChem CID75370953
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone
SMILESCOc1c(C(=O)N2CCN(C(C)(C)C)CC2)c(C)nn1C
InChIInChI=1S/C15H26N4O2/c1-11-12(14(21-6)17(5)16-11)13(20)18-7-9-19(10-8-18)15(2,3)4/h7-10H2,1-6H3
InChIKeyVYIWVZIVTKYECX-UHFFFAOYSA-N
XLogP1.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone (CID 75370953) is (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone is COc1c(C(=O)N2CCN(C(C)(C)C)CC2)c(C)nn1C.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone?
The InChIKey is VYIWVZIVTKYECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-12(14(21-6)17(5)16-11)13(20)18-7-9-19(10-8-18)15(2,3)4/h7-10H2,1-6H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone?
(4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone has a molecular weight of 294.40 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(5-methoxy-1,3-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 75370953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).