2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C15H25N5O3S — CID 96574599

IUPAC2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCSCC[C@H](O)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C15H25N5O3S/c1-18(2)15(23)19-5-6-20-12(10-19)8-11(17-20)9-16-14(22)13(21)4-7-24-3/h8,13,21H,4-7,9-10H2,1-3H3,(H,16,22)/t13-/m0/s1
InChIKeyUXRDEXGIMHHTLL-ZDUSSCGKSA-N
MW355.46 g/mol
LogP0.11
Rot. Bonds6

About 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 96574599) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID96574599
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCSCC[C@H](O)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C15H25N5O3S/c1-18(2)15(23)19-5-6-20-12(10-19)8-11(17-20)9-16-14(22)13(21)4-7-24-3/h8,13,21H,4-7,9-10H2,1-3H3,(H,16,22)/t13-/m0/s1
InChIKeyUXRDEXGIMHHTLL-ZDUSSCGKSA-N
XLogP0.11
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 96574599) is 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CSCC[C@H](O)C(=O)NCc1cc2n(n1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is UXRDEXGIMHHTLL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-18(2)15(23)19-5-6-20-12(10-19)8-11(17-20)9-16-14(22)13(21)4-7-24-3/h8,13,21H,4-7,9-10H2,1-3H3,(H,16,22)/t13-/m0/s1.
What are the key properties of 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 96574599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).