2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C14H19N3S — CID 82270078

IUPAC2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCc1cc(=S)n2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C14H19N3S/c1-2-11-8-14(18)17-13(15-11)9-12(16-17)10-6-4-3-5-7-10/h8-10,16H,2-7H2,1H3
InChIKeyZGQYXQRNBDAQLY-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.00
Rot. Bonds2

About 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270078) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270078
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCCc1cc(=S)n2[nH]c(C3CCCCC3)cc2n1
InChIInChI=1S/C14H19N3S/c1-2-11-8-14(18)17-13(15-11)9-12(16-17)10-6-4-3-5-7-10/h8-10,16H,2-7H2,1H3
InChIKeyZGQYXQRNBDAQLY-UHFFFAOYSA-N
XLogP4.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270143
2-pentan-3-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270145
2-cyclopentyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270147
2-cyclohexyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270039
5-methyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270041
2-cyclobutyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270042
2-cyclopentyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270043
5-ethyl-2-pentan-3-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270080
2-cyclobutyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270081
2-cyclopentyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270082
2-propan-2-yl-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270108
2-cyclohexyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270112

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270078) is 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is CCc1cc(=S)n2[nH]c(C3CCCCC3)cc2n1.
What is the InChIKey of 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is ZGQYXQRNBDAQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-2-11-8-14(18)17-13(15-11)9-12(16-17)10-6-4-3-5-7-10/h8-10,16H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 261.39 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-ethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).