(6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

C12H15F3N4O2 — CID 137452761

IUPAC(6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C=O
InChIInChI=1S/C12H15F3N4O2/c1-7-4-19-10(5-18(7)6-20)9(3-16-19)11(21)17-8(2)12(13,14)15/h3,6-8H,4-5H2,1-2H3,(H,17,21)/t7-,8+/m0/s1
InChIKeyUABSPWWGZWHLOX-JGVFFNPUSA-N
MW304.27 g/mol
LogP0.92
Rot. Bonds3

About (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide

(6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 137452761) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID137452761
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name(6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESC[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C=O
InChIInChI=1S/C12H15F3N4O2/c1-7-4-19-10(5-18(7)6-20)9(3-16-19)11(21)17-8(2)12(13,14)15/h3,6-8H,4-5H2,1-2H3,(H,17,21)/t7-,8+/m0/s1
InChIKeyUABSPWWGZWHLOX-JGVFFNPUSA-N
XLogP0.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 72881294
CID 138991240
CID 138991240
CID 134788380
CID 134788380
CID 134789190
CID 134789190
CID 134789952
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CID 134790046
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CID 134790634
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CID 134790872

Frequently Asked Questions

What is the IUPAC name of (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 137452761) is (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is C[C@H]1Cn2ncc(C(=O)N[C@H](C)C(F)(F)F)c2CN1C=O.
What is the InChIKey of (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is UABSPWWGZWHLOX-JGVFFNPUSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-7-4-19-10(5-18(7)6-20)9(3-16-19)11(21)17-8(2)12(13,14)15/h3,6-8H,4-5H2,1-2H3,(H,17,21)/t7-,8+/m0/s1.
What are the key properties of (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide?
(6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-formyl-6-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 137452761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).