6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C25H27N7O — CID 121390926

IUPAC6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(Cc4ccc(OC)cc4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H27N7O/c1-4-21(5-2)31-16-20(13-28-31)25-24-10-11-26-32(24)17-23(29-25)19-12-27-30(15-19)14-18-6-8-22(33-3)9-7-18/h6-13,15-17,21H,4-5,14H2,1-3H3
InChIKeyVMMFIJDQVMFKRJ-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.87
Rot. Bonds8

About 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121390926) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121390926
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(Cc4ccc(OC)cc4)c3)cn3nccc23)cn1
InChIInChI=1S/C25H27N7O/c1-4-21(5-2)31-16-20(13-28-31)25-24-10-11-26-32(24)17-23(29-25)19-12-27-30(15-19)14-18-6-8-22(33-3)9-7-18/h6-13,15-17,21H,4-5,14H2,1-3H3
InChIKeyVMMFIJDQVMFKRJ-UHFFFAOYSA-N
XLogP4.87
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121390926) is 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(Cc4ccc(OC)cc4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is VMMFIJDQVMFKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-4-21(5-2)31-16-20(13-28-31)25-24-10-11-26-32(24)17-23(29-25)19-12-27-30(15-19)14-18-6-8-22(33-3)9-7-18/h6-13,15-17,21H,4-5,14H2,1-3H3.
What are the key properties of 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 441.54 g/mol, XLogP of 4.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121390926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).