(1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C17H24N4OS — CID 56814668

IUPAC(1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCN(Cc3ccsc3)CC2)cn1
InChIInChI=1S/C17H24N4OS/c1-17(2,3)21-12-15(10-18-21)16(22)20-7-5-19(6-8-20)11-14-4-9-23-13-14/h4,9-10,12-13H,5-8,11H2,1-3H3
InChIKeyNGQCMZKNUGXOQJ-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.66
Rot. Bonds3

About (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 56814668) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID56814668
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC(C)(C)n1cc(C(=O)N2CCN(Cc3ccsc3)CC2)cn1
InChIInChI=1S/C17H24N4OS/c1-17(2,3)21-12-15(10-18-21)16(22)20-7-5-19(6-8-20)11-14-4-9-23-13-14/h4,9-10,12-13H,5-8,11H2,1-3H3
InChIKeyNGQCMZKNUGXOQJ-UHFFFAOYSA-N
XLogP2.66
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 56814668) is (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is CC(C)(C)n1cc(C(=O)N2CCN(Cc3ccsc3)CC2)cn1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is NGQCMZKNUGXOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-17(2,3)21-12-15(10-18-21)16(22)20-7-5-19(6-8-20)11-14-4-9-23-13-14/h4,9-10,12-13H,5-8,11H2,1-3H3.
What are the key properties of (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 332.47 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56814668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).