5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C22H25F3N4O2 — CID 167414323

About 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 167414323) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• PubChem CID: 167414323
• Molecular Formula: C22H25F3N4O2
• Molecular Weight: 434.46 g/mol
• Exact Mass: 434.19
• IUPAC Name: 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• SMILES: O=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1)c1cc2n(n1)CCN(CCC1CC1)C2
• InChI: InChI=1S/C22H25F3N4O2/c23-22(24,25)16-3-4-20-15(9-16)10-17(13-31-20)26-21(30)19-11-18-12-28(6-5-14-1-2-14)7-8-29(18)27-19/h3-4,9,11,14,17H,1-2,5-8,10,12-13H2,(H,26,30)/t17-/m1/s1
• InChIKey: JXNRVBJSUZRWHC-QGZVFWFLSA-N
• XLogP: 3.25
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.46
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The IUPAC name of 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 167414323) is 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

What is the SMILES notation for 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The canonical SMILES for 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C(N[C@H]1COc2ccc(C(F)(F)F)cc2C1)c1cc2n(n1)CCN(CCC1CC1)C2.

What is the InChIKey of 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The InChIKey is JXNRVBJSUZRWHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c23-22(24,25)16-3-4-20-15(9-16)10-17(13-31-20)26-21(30)19-11-18-12-28(6-5-14-1-2-14)7-8-29(18)27-19/h3-4,9,11,14,17H,1-2,5-8,10,12-13H2,(H,26,30)/t17-/m1/s1.

What are the key properties of 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-cyclopropylethyl)-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 167414323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).