3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole

C9H7ClN4S — CID 83192573

IUPAC3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole
SMILESClc1c2c(nn1-c1ncccn1)CSC2
InChIInChI=1S/C9H7ClN4S/c10-8-6-4-15-5-7(6)13-14(8)9-11-2-1-3-12-9/h1-3H,4-5H2
InChIKeyLICIGPOJMGYING-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.06
Rot. Bonds1

About 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole

3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole (PubChem CID 83192573) has the molecular formula C9H7ClN4S and a molecular weight of 238.70 g/mol. Its IUPAC name is 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole.

Molecular Properties

Compound Name3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole
PubChem CID83192573
Molecular FormulaC9H7ClN4S
Molecular Weight238.70 g/mol
Exact Mass238.01
IUPAC Name3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole
SMILESClc1c2c(nn1-c1ncccn1)CSC2
InChIInChI=1S/C9H7ClN4S/c10-8-6-4-15-5-7(6)13-14(8)9-11-2-1-3-12-9/h1-3H,4-5H2
InChIKeyLICIGPOJMGYING-UHFFFAOYSA-N
XLogP2.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole?
The IUPAC name of 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole (CID 83192573) is 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole.
What is the SMILES notation for 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole?
The canonical SMILES for 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole is Clc1c2c(nn1-c1ncccn1)CSC2.
What is the InChIKey of 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole?
The InChIKey is LICIGPOJMGYING-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4S/c10-8-6-4-15-5-7(6)13-14(8)9-11-2-1-3-12-9/h1-3H,4-5H2.
What are the key properties of 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole?
3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole has a molecular weight of 238.70 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-pyrimidin-2-yl-4,6-dihydrothieno[3,4-c]pyrazole is sourced from PubChem (CID 83192573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).