(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C17H23N5OS — CID 70779801

IUPAC(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H23N5OS/c23-16(14-12-19-20-15(14)13-4-2-1-3-5-13)21-7-9-22(10-8-21)17-18-6-11-24-17/h6,11-13H,1-5,7-10H2,(H,19,20)
InChIKeyFHWYPBDVSXHQFG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.88
Rot. Bonds3

About (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 70779801) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID70779801
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CCCCC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H23N5OS/c23-16(14-12-19-20-15(14)13-4-2-1-3-5-13)21-7-9-22(10-8-21)17-18-6-11-24-17/h6,11-13H,1-5,7-10H2,(H,19,20)
InChIKeyFHWYPBDVSXHQFG-UHFFFAOYSA-N
XLogP2.88
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 70779801) is (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(c1cn[nH]c1C1CCCCC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is FHWYPBDVSXHQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c23-16(14-12-19-20-15(14)13-4-2-1-3-5-13)21-7-9-22(10-8-21)17-18-6-11-24-17/h6,11-13H,1-5,7-10H2,(H,19,20).
What are the key properties of (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
(5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclohexyl-1H-pyrazol-4-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 70779801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).