(6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

About (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

(6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 145440471) has the molecular formula C17H20F3N5O4S and a molecular weight of 447.44 g/mol. Its IUPAC name is (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name	(6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID	145440471
Molecular Formula	C17H20F3N5O4S
Molecular Weight	447.44 g/mol
Exact Mass	447.12
IUPAC Name	(6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILES	C[C@H]1Cn2ncc(N(CCO)S(C)(=O)=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1
InChI	InChI=1S/C17H20F3N5O4S/c1-10-8-24-15(14(7-21-24)25(3-4-26)30(2,28)29)9-23(10)17(27)22-11-5-12(18)16(20)13(19)6-11/h5-7,10,26H,3-4,8-9H2,1-2H3,(H,22,27)/t10-/m0/s1
InChIKey	KSNUDDSJOXNEAB-JTQLQIEISA-N
XLogP	1.49
TPSA	107.77 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.44
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 145440471) is (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N(CCO)S(C)(=O)=O)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.

What is the InChIKey of (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is KSNUDDSJOXNEAB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20F3N5O4S/c1-10-8-24-15(14(7-21-24)25(3-4-26)30(2,28)29)9-23(10)17(27)22-11-5-12(18)16(20)13(19)6-11/h5-7,10,26H,3-4,8-9H2,1-2H3,(H,22,27)/t10-/m0/s1.

What are the key properties of (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

(6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 447.44 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3-[2-hydroxyethyl(methylsulfonyl)amino]-6-methyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 145440471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).