4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

C27H29N7O — CID 121391117

IUPAC4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(Cn2cc(-c3cn4nccc4c(-c4cnn(C5CCCC5(C)C)c4)n3)cn2)cc1
InChIInChI=1S/C27H29N7O/c1-27(2)11-4-5-25(27)34-17-21(14-30-34)26-24-10-12-28-33(24)18-23(31-26)20-13-29-32(16-20)15-19-6-8-22(35-3)9-7-19/h6-10,12-14,16-18,25H,4-5,11,15H2,1-3H3
InChIKeyWEROWNFZJZWJBQ-UHFFFAOYSA-N
MW467.58 g/mol
LogP5.26
Rot. Bonds6

About 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 121391117) has the molecular formula C27H29N7O and a molecular weight of 467.58 g/mol. Its IUPAC name is 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID121391117
Molecular FormulaC27H29N7O
Molecular Weight467.58 g/mol
Exact Mass467.24
IUPAC Name4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(Cn2cc(-c3cn4nccc4c(-c4cnn(C5CCCC5(C)C)c4)n3)cn2)cc1
InChIInChI=1S/C27H29N7O/c1-27(2)11-4-5-25(27)34-17-21(14-30-34)26-24-10-12-28-33(24)18-23(31-26)20-13-29-32(16-20)15-19-6-8-22(35-3)9-7-19/h6-10,12-14,16-18,25H,4-5,11,15H2,1-3H3
InChIKeyWEROWNFZJZWJBQ-UHFFFAOYSA-N
XLogP5.26
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.58
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 121391117) is 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is COc1ccc(Cn2cc(-c3cn4nccc4c(-c4cnn(C5CCCC5(C)C)c4)n3)cn2)cc1.
What is the InChIKey of 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is WEROWNFZJZWJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O/c1-27(2)11-4-5-25(27)34-17-21(14-30-34)26-24-10-12-28-33(24)18-23(31-26)20-13-29-32(16-20)15-19-6-8-22(35-3)9-7-19/h6-10,12-14,16-18,25H,4-5,11,15H2,1-3H3.
What are the key properties of 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 467.58 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-dimethylcyclopentyl)pyrazol-4-yl]-6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121391117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).