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

C10H11N3S — CID 82270037

IUPAC2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(C3CC3)cc2n1
InChIInChI=1S/C10H11N3S/c1-6-4-10(14)13-9(11-6)5-8(12-13)7-2-3-7/h4-5,7,12H,2-3H2,1H3
InChIKeyWLGXVHYNCYMEDN-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.58
Rot. Bonds1

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

2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (PubChem CID 82270037) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
PubChem CID82270037
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
SMILESCc1cc(=S)n2[nH]c(C3CC3)cc2n1
InChIInChI=1S/C10H11N3S/c1-6-4-10(14)13-9(11-6)5-8(12-13)7-2-3-7/h4-5,7,12H,2-3H2,1H3
InChIKeyWLGXVHYNCYMEDN-UHFFFAOYSA-N
XLogP2.58
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.58
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-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-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-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 70405325
5-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 139361069
5-methyl-2-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270035
2-tert-butyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270036
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The IUPAC name of 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione (CID 82270037) is 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione.
What is the SMILES notation for 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The canonical SMILES for 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is Cc1cc(=S)n2[nH]c(C3CC3)cc2n1.
What is the InChIKey of 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
The InChIKey is WLGXVHYNCYMEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-6-4-10(14)13-9(11-6)5-8(12-13)7-2-3-7/h4-5,7,12H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione?
2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione has a molecular weight of 205.29 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione is sourced from PubChem (CID 82270037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).