[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone

C19H32N4OS — CID 74238983

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C19H32N4OS/c1-4-23-18(14-16(20-23)13-15(2)3)19(24)22-9-7-21(8-10-22)17-5-11-25-12-6-17/h14-15,17H,4-13H2,1-3H3
InChIKeyQWINDWFITTZVKD-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.75
Rot. Bonds5

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone (PubChem CID 74238983) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
PubChem CID74238983
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
SMILESCCn1nc(CC(C)C)cc1C(=O)N1CCN(C2CCSCC2)CC1
InChIInChI=1S/C19H32N4OS/c1-4-23-18(14-16(20-23)13-15(2)3)19(24)22-9-7-21(8-10-22)17-5-11-25-12-6-17/h14-15,17H,4-13H2,1-3H3
InChIKeyQWINDWFITTZVKD-UHFFFAOYSA-N
XLogP2.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone (CID 74238983) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCN(C2CCSCC2)CC1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
The InChIKey is QWINDWFITTZVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-4-23-18(14-16(20-23)13-15(2)3)19(24)22-9-7-21(8-10-22)17-5-11-25-12-6-17/h14-15,17H,4-13H2,1-3H3.
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone has a molecular weight of 364.56 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 74238983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).