1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

C13H15N3S — CID 121214700

IUPAC1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESCCn1nc(-c2ccccn2)c2c1CCSC2
InChIInChI=1S/C13H15N3S/c1-2-16-12-6-8-17-9-10(12)13(15-16)11-5-3-4-7-14-11/h3-5,7H,2,6,8-9H2,1H3
InChIKeyWNIHZMJVJAZDHW-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.75
Rot. Bonds2

About 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole

1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (PubChem CID 121214700) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
PubChem CID121214700
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole
SMILESCCn1nc(-c2ccccn2)c2c1CCSC2
InChIInChI=1S/C13H15N3S/c1-2-16-12-6-8-17-9-10(12)13(15-16)11-5-3-4-7-14-11/h3-5,7H,2,6,8-9H2,1H3
InChIKeyWNIHZMJVJAZDHW-UHFFFAOYSA-N
XLogP2.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The IUPAC name of 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole (CID 121214700) is 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole.
What is the SMILES notation for 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The canonical SMILES for 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is CCn1nc(-c2ccccn2)c2c1CCSC2.
What is the InChIKey of 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
The InChIKey is WNIHZMJVJAZDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-16-12-6-8-17-9-10(12)13(15-16)11-5-3-4-7-14-11/h3-5,7H,2,6,8-9H2,1H3.
What are the key properties of 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole?
1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole has a molecular weight of 245.35 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-pyridin-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole is sourced from PubChem (CID 121214700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).