6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

C23H26F3N7O2 — CID 121378330

IUPAC6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(C[C@@H]4COC(C)(C)O4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H26F3N7O2/c1-4-17(7-23(24,25)26)32-11-16(9-29-32)21-20-5-6-27-33(20)13-19(30-21)15-8-28-31(10-15)12-18-14-34-22(2,3)35-18/h5-6,8-11,13,17-18H,4,7,12,14H2,1-3H3/t17?,18-/m1/s1
InChIKeyWLSGYOXRMIOHGE-QRWMCTBCSA-N
MW489.50 g/mol
LogP4.51
Rot. Bonds7

About 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 121378330) has the molecular formula C23H26F3N7O2 and a molecular weight of 489.50 g/mol. Its IUPAC name is 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID121378330
Molecular FormulaC23H26F3N7O2
Molecular Weight489.50 g/mol
Exact Mass489.21
IUPAC Name6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(C[C@@H]4COC(C)(C)O4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H26F3N7O2/c1-4-17(7-23(24,25)26)32-11-16(9-29-32)21-20-5-6-27-33(20)13-19(30-21)15-8-28-31(10-15)12-18-14-34-22(2,3)35-18/h5-6,8-11,13,17-18H,4,7,12,14H2,1-3H3/t17?,18-/m1/s1
InChIKeyWLSGYOXRMIOHGE-QRWMCTBCSA-N
XLogP4.51
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 121378330) is 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CCC(CC(F)(F)F)n1cc(-c2nc(-c3cnn(C[C@@H]4COC(C)(C)O4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is WLSGYOXRMIOHGE-QRWMCTBCSA-N. The full InChI is InChI=1S/C23H26F3N7O2/c1-4-17(7-23(24,25)26)32-11-16(9-29-32)21-20-5-6-27-33(20)13-19(30-21)15-8-28-31(10-15)12-18-14-34-22(2,3)35-18/h5-6,8-11,13,17-18H,4,7,12,14H2,1-3H3/t17?,18-/m1/s1.
What are the key properties of 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 489.50 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(1,1,1-trifluoropentan-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121378330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).