(R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide

C15H21ClN4OS — CID 170695317

IUPAC(R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C15H21ClN4OS/c1-9(19-22(21)15(2,3)4)11-8-14-17-12(10-5-6-10)7-13(16)20(14)18-11/h7-10,19H,5-6H2,1-4H3/t9-,22-/m1/s1
InChIKeySZAUGLNJCICNPM-PVBMHHQDSA-N
MW340.88 g/mol
LogP3.37
Rot. Bonds4

About (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 170695317) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID170695317
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC Name(R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESC[C@@H](N[S@](=O)C(C)(C)C)c1cc2nc(C3CC3)cc(Cl)n2n1
InChIInChI=1S/C15H21ClN4OS/c1-9(19-22(21)15(2,3)4)11-8-14-17-12(10-5-6-10)7-13(16)20(14)18-11/h7-10,19H,5-6H2,1-4H3/t9-,22-/m1/s1
InChIKeySZAUGLNJCICNPM-PVBMHHQDSA-N
XLogP3.37
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 170695317) is (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide is C[C@@H](N[S@](=O)C(C)(C)C)c1cc2nc(C3CC3)cc(Cl)n2n1.
What is the InChIKey of (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is SZAUGLNJCICNPM-PVBMHHQDSA-N. The full InChI is InChI=1S/C15H21ClN4OS/c1-9(19-22(21)15(2,3)4)11-8-14-17-12(10-5-6-10)7-13(16)20(14)18-11/h7-10,19H,5-6H2,1-4H3/t9-,22-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 340.88 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(7-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 170695317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).