5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C12H19N3S — CID 138530395

IUPAC5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(c1cc2n(n1)CCN(C)C2)C1CCS1
InChIInChI=1S/C12H19N3S/c1-9(12-3-6-16-12)11-7-10-8-14(2)4-5-15(10)13-11/h7,9,12H,3-6,8H2,1-2H3
InChIKeyGYQORLJFBWFHOM-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.94
Rot. Bonds2

About 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 138530395) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID138530395
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(c1cc2n(n1)CCN(C)C2)C1CCS1
InChIInChI=1S/C12H19N3S/c1-9(12-3-6-16-12)11-7-10-8-14(2)4-5-15(10)13-11/h7,9,12H,3-6,8H2,1-2H3
InChIKeyGYQORLJFBWFHOM-UHFFFAOYSA-N
XLogP1.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-2-(2-methylbutyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 166973724
(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methanamine
CID 82414039
5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-sulfinate
CID 162499913
1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91778778
(1S)-1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99975614
5-methyl-2-[2-methyl-1-(2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 166973744
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 157380727
5-methyl-N-(2,3,6-trimethyl-4-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-amine
CID 91573887
1-[5-[2-(4-phenylpiperazin-1-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 91796587
(4-chloro-1-methylpyrazol-3-yl)-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 99998296
6-propan-2-yl-5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonitrile
CID 170771966
cyclobutyl-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 91790670

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 138530395) is 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CC(c1cc2n(n1)CCN(C)C2)C1CCS1.
What is the InChIKey of 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is GYQORLJFBWFHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(12-3-6-16-12)11-7-10-8-14(2)4-5-15(10)13-11/h7,9,12H,3-6,8H2,1-2H3.
What are the key properties of 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 237.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-(thietan-2-yl)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 138530395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).