3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole

C11H17N3S — CID 83849919

IUPAC3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
SMILESC1CC(Cc2n[nH]c3c2CSCC3)CN1
InChIInChI=1S/C11H17N3S/c1-3-12-6-8(1)5-11-9-7-15-4-2-10(9)13-14-11/h8,12H,1-7H2,(H,13,14)
InChIKeyOUJWZBVFTRHPNU-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.35
Rot. Bonds2

About 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole

3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole (PubChem CID 83849919) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
PubChem CID83849919
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
SMILESC1CC(Cc2n[nH]c3c2CSCC3)CN1
InChIInChI=1S/C11H17N3S/c1-3-12-6-8(1)5-11-9-7-15-4-2-10(9)13-14-11/h8,12H,1-7H2,(H,13,14)
InChIKeyOUJWZBVFTRHPNU-UHFFFAOYSA-N
XLogP1.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyrrolidin-3-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3-one
CID 105483251
5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105440268
3-bromo-5-(pyrrolidin-3-ylmethyl)-1H-1,2,4-triazole
CID 84694246
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83849391
4-(pyrrolidin-3-ylmethyl)-1H-pyrazole
CID 83479564
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 105447590
5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
CID 139490791
5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-(3,4-dihydro-2H-thiochromen-5-ylmethyl)pyrrolidine
CID 84796479
4-(oxan-4-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116828990

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole?
The IUPAC name of 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole (CID 83849919) is 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole?
The canonical SMILES for 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole is C1CC(Cc2n[nH]c3c2CSCC3)CN1.
What is the InChIKey of 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole?
The InChIKey is OUJWZBVFTRHPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-3-12-6-8(1)5-11-9-7-15-4-2-10(9)13-14-11/h8,12H,1-7H2,(H,13,14).
What are the key properties of 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole?
3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole has a molecular weight of 223.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-3-ylmethyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole is sourced from PubChem (CID 83849919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).