N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide

C15H16ClFN4O2S — CID 167745792

IUPACN-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cnn2c1CNCC2
InChIInChI=1S/C15H16ClFN4O2S/c16-11-2-1-9(5-12(11)17)10-6-13(10)20-24(22,23)15-8-19-21-4-3-18-7-14(15)21/h1-2,5,8,10,13,18,20H,3-4,6-7H2/t10-,13+/m0/s1
InChIKeyRDICYFQRZMFODS-GXFFZTMASA-N
MW370.84 g/mol
LogP1.61
Rot. Bonds4

About N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide

N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide (PubChem CID 167745792) has the molecular formula C15H16ClFN4O2S and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
PubChem CID167745792
Molecular FormulaC15H16ClFN4O2S
Molecular Weight370.84 g/mol
Exact Mass370.07
IUPAC NameN-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cnn2c1CNCC2
InChIInChI=1S/C15H16ClFN4O2S/c16-11-2-1-9(5-12(11)17)10-6-13(10)20-24(22,23)15-8-19-21-4-3-18-7-14(15)21/h1-2,5,8,10,13,18,20H,3-4,6-7H2/t10-,13+/m0/s1
InChIKeyRDICYFQRZMFODS-GXFFZTMASA-N
XLogP1.61
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The IUPAC name of N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide (CID 167745792) is N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide.
What is the SMILES notation for N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The canonical SMILES for N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide is O=S(=O)(N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1)c1cnn2c1CNCC2.
What is the InChIKey of N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
The InChIKey is RDICYFQRZMFODS-GXFFZTMASA-N. The full InChI is InChI=1S/C15H16ClFN4O2S/c16-11-2-1-9(5-12(11)17)10-6-13(10)20-24(22,23)15-8-19-21-4-3-18-7-14(15)21/h1-2,5,8,10,13,18,20H,3-4,6-7H2/t10-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide?
N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide has a molecular weight of 370.84 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(4-chloro-3-fluorophenyl)cyclopropyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-sulfonamide is sourced from PubChem (CID 167745792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).