N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide

C15H18ClFN4O2S — CID 131678029

IUPACN-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn21
InChIInChI=1S/C15H18ClFN4O2S/c1-24(22,23)19-7-13-10-20(9-12-4-5-18-21(12)13)8-11-2-3-14(16)15(17)6-11/h2-6,13,19H,7-10H2,1H3
InChIKeyRCQNKVXUTYUPPK-UHFFFAOYSA-N
MW372.85 g/mol
LogP1.78
Rot. Bonds5

About N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide

N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide (PubChem CID 131678029) has the molecular formula C15H18ClFN4O2S and a molecular weight of 372.85 g/mol. Its IUPAC name is N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
PubChem CID131678029
Molecular FormulaC15H18ClFN4O2S
Molecular Weight372.85 g/mol
Exact Mass372.08
IUPAC NameN-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn21
InChIInChI=1S/C15H18ClFN4O2S/c1-24(22,23)19-7-13-10-20(9-12-4-5-18-21(12)13)8-11-2-3-14(16)15(17)6-11/h2-6,13,19H,7-10H2,1H3
InChIKeyRCQNKVXUTYUPPK-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 58101326
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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide (CID 131678029) is N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide is CS(=O)(=O)NCC1CN(Cc2ccc(Cl)c(F)c2)Cc2ccnn21.
What is the InChIKey of N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
The InChIKey is RCQNKVXUTYUPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN4O2S/c1-24(22,23)19-7-13-10-20(9-12-4-5-18-21(12)13)8-11-2-3-14(16)15(17)6-11/h2-6,13,19H,7-10H2,1H3.
What are the key properties of N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide?
N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide has a molecular weight of 372.85 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-chloro-3-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide is sourced from PubChem (CID 131678029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).