2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide

C22H28N8O — CID 121378270

IUPAC2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(=O)NC(C)C)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O/c1-5-18(6-2)29-12-17(10-25-29)22-20-7-8-23-30(20)13-19(27-22)16-9-24-28(11-16)14-21(31)26-15(3)4/h7-13,15,18H,5-6,14H2,1-4H3,(H,26,31)
InChIKeyMXGPPMXKCJUMCI-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.34
Rot. Bonds8

About 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide

2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 121378270) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
PubChem CID121378270
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(=O)NC(C)C)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8O/c1-5-18(6-2)29-12-17(10-25-29)22-20-7-8-23-30(20)13-19(27-22)16-9-24-28(11-16)14-21(31)26-15(3)4/h7-13,15,18H,5-6,14H2,1-4H3,(H,26,31)
InChIKeyMXGPPMXKCJUMCI-UHFFFAOYSA-N
XLogP3.34
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide (CID 121378270) is 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide is CCC(CC)n1cc(-c2nc(-c3cnn(CC(=O)NC(C)C)c3)cn3nccc23)cn1.
What is the InChIKey of 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MXGPPMXKCJUMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8O/c1-5-18(6-2)29-12-17(10-25-29)22-20-7-8-23-30(20)13-19(27-22)16-9-24-28(11-16)14-21(31)26-15(3)4/h7-13,15,18H,5-6,14H2,1-4H3,(H,26,31).
What are the key properties of 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide?
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 420.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 121378270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).