[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C20H30N4OS — CID 1197211

IUPAC[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCCc1c(C(=O)N2CCC(C)CC2)cnn1-c1nc(C(C)(C)C)cs1
InChIInChI=1S/C20H30N4OS/c1-6-7-16-15(18(25)23-10-8-14(2)9-11-23)12-21-24(16)19-22-17(13-26-19)20(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyGPWSNGDBTCDKBQ-UHFFFAOYSA-N
MW374.55 g/mol
LogP4.45
Rot. Bonds4

About [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 1197211) has the molecular formula C20H30N4OS and a molecular weight of 374.55 g/mol. Its IUPAC name is [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID1197211
Molecular FormulaC20H30N4OS
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCCCc1c(C(=O)N2CCC(C)CC2)cnn1-c1nc(C(C)(C)C)cs1
InChIInChI=1S/C20H30N4OS/c1-6-7-16-15(18(25)23-10-8-14(2)9-11-23)12-21-24(16)19-22-17(13-26-19)20(3,4)5/h12-14H,6-11H2,1-5H3
InChIKeyGPWSNGDBTCDKBQ-UHFFFAOYSA-N
XLogP4.45
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 1197211) is [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone is CCCc1c(C(=O)N2CCC(C)CC2)cnn1-c1nc(C(C)(C)C)cs1.
What is the InChIKey of [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is GPWSNGDBTCDKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OS/c1-6-7-16-15(18(25)23-10-8-14(2)9-11-23)12-21-24(16)19-22-17(13-26-19)20(3,4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 374.55 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-tert-butyl-1,3-thiazol-2-yl)-5-propylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 1197211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).