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

C23H27N7O2 — CID 141494801

IUPAC6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCC1CCC1n1cc(-c2nc(-c3cnn(C[C@@H]4COC(C)(C)O4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H27N7O2/c1-15-4-5-20(15)29-11-17(9-26-29)22-21-6-7-24-30(21)13-19(27-22)16-8-25-28(10-16)12-18-14-31-23(2,3)32-18/h6-11,13,15,18,20H,4-5,12,14H2,1-3H3/t15?,18-,20?/m1/s1
InChIKeyZLVGZRHYMHKEJB-RVSXGSNBSA-N
MW433.52 g/mol
LogP3.58
Rot. Bonds5

About 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(2-methylcyclobutyl)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-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 141494801) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(2-methylcyclobutyl)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-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID141494801
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCC1CCC1n1cc(-c2nc(-c3cnn(C[C@@H]4COC(C)(C)O4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H27N7O2/c1-15-4-5-20(15)29-11-17(9-26-29)22-21-6-7-24-30(21)13-19(27-22)16-8-25-28(10-16)12-18-14-31-23(2,3)32-18/h6-11,13,15,18,20H,4-5,12,14H2,1-3H3/t15?,18-,20?/m1/s1
InChIKeyZLVGZRHYMHKEJB-RVSXGSNBSA-N
XLogP3.58
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.58
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-(2-methylcyclobutyl)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-(2-methylcyclobutyl)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-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 141494801) is 6-[1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]pyrazol-4-yl]-4-[1-(2-methylcyclobutyl)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-(2-methylcyclobutyl)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-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CC1CCC1n1cc(-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-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is ZLVGZRHYMHKEJB-RVSXGSNBSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15-4-5-20(15)29-11-17(9-26-29)22-21-6-7-24-30(21)13-19(27-22)16-8-25-28(10-16)12-18-14-31-23(2,3)32-18/h6-11,13,15,18,20H,4-5,12,14H2,1-3H3/t15?,18-,20?/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-(2-methylcyclobutyl)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-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 433.52 g/mol, XLogP of 3.58, 5 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-(2-methylcyclobutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 141494801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).