5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

C10H13N3S — CID 82270035

IUPAC5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(C(C)C)cc2n1
InChIInChI=1S/C10H13N3S/c1-6(2)8-5-9-11-7(3)4-10(14)13(9)12-8/h4-6,12H,1-3H3
InChIKeyAYTWUJHJINVUKI-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.82
Rot. Bonds1

About 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione

5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270035) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270035
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(C(C)C)cc2n1
InChIInChI=1S/C10H13N3S/c1-6(2)8-5-9-11-7(3)4-10(14)13(9)12-8/h4-6,12H,1-3H3
InChIKeyAYTWUJHJINVUKI-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.82
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

5,7-dimethyl-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione
CID 20699443
5-ethyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270077
5-propyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270111
2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270139
2-tert-butyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270140
2-cyclopropyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270141
2-pentan-3-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270145
2-ethyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270149
2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 14852631
5-Ethylpyrazolo[1,5-a]pyrimidine-7-thiol
CID 19975807
2-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 70405325
2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270036

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270035) is 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cc(=S)n2[nH]c(C(C)C)cc2n1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is AYTWUJHJINVUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6(2)8-5-9-11-7(3)4-10(14)13(9)12-8/h4-6,12H,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 207.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).