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

C21H28N8 — CID 121391095

IUPACN,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN(C)C)c3)cn3nccc23)cn1
InChIInChI=1S/C21H28N8/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)10-9-26(3)4/h7-8,11-15,18H,5-6,9-10H2,1-4H3
InChIKeyWKIYBLMNYFYECG-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.38
Rot. Bonds8

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

N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine (PubChem CID 121391095) has the molecular formula C21H28N8 and a molecular weight of 392.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine
PubChem CID121391095
Molecular FormulaC21H28N8
Molecular Weight392.51 g/mol
Exact Mass392.24
IUPAC NameN,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN(C)C)c3)cn3nccc23)cn1
InChIInChI=1S/C21H28N8/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)10-9-26(3)4/h7-8,11-15,18H,5-6,9-10H2,1-4H3
InChIKeyWKIYBLMNYFYECG-UHFFFAOYSA-N
XLogP3.38
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine (CID 121391095) is N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine is CCC(CC)n1cc(-c2nc(-c3cnn(CCN(C)C)c3)cn3nccc23)cn1.
What is the InChIKey of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine?
The InChIKey is WKIYBLMNYFYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8/c1-5-18(6-2)28-14-17(12-24-28)21-20-7-8-22-29(20)15-19(25-21)16-11-23-27(13-16)10-9-26(3)4/h7-8,11-15,18H,5-6,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine?
N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine has a molecular weight of 392.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethanamine is sourced from PubChem (CID 121391095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).