2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile

C10H13N3S — CID 105461036

IUPAC2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
SMILESCC(C)n1nc2c(c1C#N)CSCC2
InChIInChI=1S/C10H13N3S/c1-7(2)13-10(5-11)8-6-14-4-3-9(8)12-13/h7H,3-4,6H2,1-2H3
InChIKeyDLZXHNYPUCNBOX-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.12
Rot. Bonds1

About 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile

2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile (PubChem CID 105461036) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
PubChem CID105461036
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
SMILESCC(C)n1nc2c(c1C#N)CSCC2
InChIInChI=1S/C10H13N3S/c1-7(2)13-10(5-11)8-6-14-4-3-9(8)12-13/h7H,3-4,6H2,1-2H3
InChIKeyDLZXHNYPUCNBOX-UHFFFAOYSA-N
XLogP2.12
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile?
The IUPAC name of 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile (CID 105461036) is 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile is CC(C)n1nc2c(c1C#N)CSCC2.
What is the InChIKey of 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile?
The InChIKey is DLZXHNYPUCNBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7(2)13-10(5-11)8-6-14-4-3-9(8)12-13/h7H,3-4,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile?
2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile has a molecular weight of 207.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105461036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).