3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol

C18H26N2OS — CID 69259321

IUPAC3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol
SMILESCc1csc(-c2cc(CCCO)nn2CC2CCCCC2)c1
InChIInChI=1S/C18H26N2OS/c1-14-10-18(22-13-14)17-11-16(8-5-9-21)19-20(17)12-15-6-3-2-4-7-15/h10-11,13,15,21H,2-9,12H2,1H3
InChIKeyLOBKDFNLWYPHQP-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.43
Rot. Bonds6

About 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol

3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol (PubChem CID 69259321) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol
PubChem CID69259321
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol
SMILESCc1csc(-c2cc(CCCO)nn2CC2CCCCC2)c1
InChIInChI=1S/C18H26N2OS/c1-14-10-18(22-13-14)17-11-16(8-5-9-21)19-20(17)12-15-6-3-2-4-7-15/h10-11,13,15,21H,2-9,12H2,1H3
InChIKeyLOBKDFNLWYPHQP-UHFFFAOYSA-N
XLogP4.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol?
The IUPAC name of 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol (CID 69259321) is 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol is Cc1csc(-c2cc(CCCO)nn2CC2CCCCC2)c1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol?
The InChIKey is LOBKDFNLWYPHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-14-10-18(22-13-14)17-11-16(8-5-9-21)19-20(17)12-15-6-3-2-4-7-15/h10-11,13,15,21H,2-9,12H2,1H3.
What are the key properties of 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol?
3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol has a molecular weight of 318.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)-5-(4-methylthiophen-2-yl)pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 69259321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).