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

C29H27N7O — CID 121390998

IUPAC6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(c1ccccc1)n1cc(-c2nc(-c3cnn(Cc4ccc(OC)cc4)c3)cn3nccc23)cn1
InChIInChI=1S/C29H27N7O/c1-3-27(22-7-5-4-6-8-22)35-19-24(16-32-35)29-28-13-14-30-36(28)20-26(33-29)23-15-31-34(18-23)17-21-9-11-25(37-2)12-10-21/h4-16,18-20,27H,3,17H2,1-2H3
InChIKeyAOYUXFLAVJSTSW-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.51
Rot. Bonds8

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

6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 121390998) has the molecular formula C29H27N7O and a molecular weight of 489.58 g/mol. Its IUPAC name is 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID121390998
Molecular FormulaC29H27N7O
Molecular Weight489.58 g/mol
Exact Mass489.23
IUPAC Name6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(c1ccccc1)n1cc(-c2nc(-c3cnn(Cc4ccc(OC)cc4)c3)cn3nccc23)cn1
InChIInChI=1S/C29H27N7O/c1-3-27(22-7-5-4-6-8-22)35-19-24(16-32-35)29-28-13-14-30-36(28)20-26(33-29)23-15-31-34(18-23)17-21-9-11-25(37-2)12-10-21/h4-16,18-20,27H,3,17H2,1-2H3
InChIKeyAOYUXFLAVJSTSW-UHFFFAOYSA-N
XLogP5.51
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.51
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-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 121390998) is 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CCC(c1ccccc1)n1cc(-c2nc(-c3cnn(Cc4ccc(OC)cc4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is AOYUXFLAVJSTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7O/c1-3-27(22-7-5-4-6-8-22)35-19-24(16-32-35)29-28-13-14-30-36(28)20-26(33-29)23-15-31-34(18-23)17-21-9-11-25(37-2)12-10-21/h4-16,18-20,27H,3,17H2,1-2H3.
What are the key properties of 6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-[1-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 489.58 g/mol, XLogP of 5.51, 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-(1-phenylpropyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121390998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).