4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol

C16H18N4OS — CID 91154060

IUPAC4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(N(c2ccn3nccc3n2)c2cccs2)CC1
InChIInChI=1S/C16H18N4OS/c21-13-5-3-12(4-6-13)20(16-2-1-11-22-16)15-8-10-19-14(18-15)7-9-17-19/h1-2,7-13,21H,3-6H2
InChIKeyMPLVHDCZJZUELR-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.23
Rot. Bonds3

About 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol

4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol (PubChem CID 91154060) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol
PubChem CID91154060
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(N(c2ccn3nccc3n2)c2cccs2)CC1
InChIInChI=1S/C16H18N4OS/c21-13-5-3-12(4-6-13)20(16-2-1-11-22-16)15-8-10-19-14(18-15)7-9-17-19/h1-2,7-13,21H,3-6H2
InChIKeyMPLVHDCZJZUELR-UHFFFAOYSA-N
XLogP3.23
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[cyclopropyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]propanethioamide
CID 115372209
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexan-1-ol
CID 114762644
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372794
N-cyclopropylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372297
1-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 110887633
pyrazolo[1,5-a]pyrimidin-5-olate
CID 51386982
N',2-dimethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372172
N-(2-methylcyclopentyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372556
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372842
N-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 163356400

Frequently Asked Questions

What is the IUPAC name of 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol (CID 91154060) is 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol is OC1CCC(N(c2ccn3nccc3n2)c2cccs2)CC1.
What is the InChIKey of 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol?
The InChIKey is MPLVHDCZJZUELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c21-13-5-3-12(4-6-13)20(16-2-1-11-22-16)15-8-10-19-14(18-15)7-9-17-19/h1-2,7-13,21H,3-6H2.
What are the key properties of 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol?
4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol has a molecular weight of 314.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[pyrazolo[1,5-a]pyrimidin-5-yl(thiophen-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 91154060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).