5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate

C7H10N3O2S- — CID 162499913

IUPAC5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate
SMILESCN1CCn2nc(S(=O)[O-])cc2C1
InChIInChI=1S/C7H11N3O2S/c1-9-2-3-10-6(5-9)4-7(8-10)13(11)12/h4H,2-3,5H2,1H3,(H,11,12)/p-1
InChIKeyNRFAMBRAPKQSNA-UHFFFAOYSA-M
MW200.24 g/mol
LogP-0.43
Rot. Bonds1

About 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate

5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate (PubChem CID 162499913) has the molecular formula C7H10N3O2S- and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate
PubChem CID162499913
Molecular FormulaC7H10N3O2S-
Molecular Weight200.24 g/mol
Exact Mass200.05
IUPAC Name5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate
SMILESCN1CCn2nc(S(=O)[O-])cc2C1
InChIInChI=1S/C7H11N3O2S/c1-9-2-3-10-6(5-9)4-7(8-10)13(11)12/h4H,2-3,5H2,1H3,(H,11,12)/p-1
InChIKeyNRFAMBRAPKQSNA-UHFFFAOYSA-M
XLogP-0.43
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanamine
CID 82414039
5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 138530395
5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 166973724
5-methyl-N-(2,3,6-trimethyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
CID 91573887
5-bromo-1-methyl-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]pyridin-2-one
CID 58043884
N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)prop-2-enamide;2,2,2-trifluoroacetic acid
CID 166428681
formaldehyde;5-methyl-2-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 177033704
6-methyl-4,5,7,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-2-amine
CID 165017770
N-[(3S)-3-hydroxy-3-phenylpropyl]-N,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95128171
ethane;5-methyl-N-sulfanyloxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 170601717
3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 50964675
ethane;3-methyl-5-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-1,2,4-oxadiazole
CID 168942637

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate?
The IUPAC name of 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate (CID 162499913) is 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate.
What is the SMILES notation for 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate?
The canonical SMILES for 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate is CN1CCn2nc(S(=O)[O-])cc2C1.
What is the InChIKey of 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate?
The InChIKey is NRFAMBRAPKQSNA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N3O2S/c1-9-2-3-10-6(5-9)4-7(8-10)13(11)12/h4H,2-3,5H2,1H3,(H,11,12)/p-1.
What are the key properties of 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate?
5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate has a molecular weight of 200.24 g/mol, XLogP of -0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate is sourced from PubChem (CID 162499913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).