[1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol

C13H19N5OS — CID 28963479

IUPAC[1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N2CCN(c3nccs3)CC2)c1CO
InChIInChI=1S/C13H19N5OS/c1-10-11(9-19)12(16(2)15-10)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8,19H,4-7,9H2,1-2H3
InChIKeyFCTWMHXQCVIYJK-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.00
Rot. Bonds3

About [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol

[1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol (PubChem CID 28963479) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol
PubChem CID28963479
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name[1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol
SMILESCc1nn(C)c(N2CCN(c3nccs3)CC2)c1CO
InChIInChI=1S/C13H19N5OS/c1-10-11(9-19)12(16(2)15-10)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8,19H,4-7,9H2,1-2H3
InChIKeyFCTWMHXQCVIYJK-UHFFFAOYSA-N
XLogP1.00
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol (CID 28963479) is [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol is Cc1nn(C)c(N2CCN(c3nccs3)CC2)c1CO.
What is the InChIKey of [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol?
The InChIKey is FCTWMHXQCVIYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-10-11(9-19)12(16(2)15-10)17-4-6-18(7-5-17)13-14-3-8-20-13/h3,8,19H,4-7,9H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol?
[1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol has a molecular weight of 293.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrazol-4-yl]methanol is sourced from PubChem (CID 28963479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).