2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine

C10H10N4O2S — CID 141406573

IUPAC2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine
SMILESO=S(=O)(C1CC1)n1cc(-c2ncccn2)cn1
InChIInChI=1S/C10H10N4O2S/c15-17(16,9-2-3-9)14-7-8(6-13-14)10-11-4-1-5-12-10/h1,4-7,9H,2-3H2
InChIKeyRYKFOEBSFUHHCS-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.68
Rot. Bonds3

About 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine

2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine (PubChem CID 141406573) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine
PubChem CID141406573
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine
SMILESO=S(=O)(C1CC1)n1cc(-c2ncccn2)cn1
InChIInChI=1S/C10H10N4O2S/c15-17(16,9-2-3-9)14-7-8(6-13-14)10-11-4-1-5-12-10/h1,4-7,9H,2-3H2
InChIKeyRYKFOEBSFUHHCS-UHFFFAOYSA-N
XLogP0.68
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine (CID 141406573) is 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine is O=S(=O)(C1CC1)n1cc(-c2ncccn2)cn1.
What is the InChIKey of 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine?
The InChIKey is RYKFOEBSFUHHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-17(16,9-2-3-9)14-7-8(6-13-14)10-11-4-1-5-12-10/h1,4-7,9H,2-3H2.
What are the key properties of 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine?
2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine has a molecular weight of 250.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 141406573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).