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

C22H28N8 — CID 121391062

IUPACN-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCNC4CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8/c1-3-19(4-2)29-14-17(12-26-29)22-21-7-8-24-30(21)15-20(27-22)16-11-25-28(13-16)10-9-23-18-5-6-18/h7-8,11-15,18-19,23H,3-6,9-10H2,1-2H3
InChIKeyVXWDADMWHBDHHT-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.57
Rot. Bonds9

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

N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine (PubChem CID 121391062) has the molecular formula C22H28N8 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine
PubChem CID121391062
Molecular FormulaC22H28N8
Molecular Weight404.52 g/mol
Exact Mass404.24
IUPAC NameN-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCNC4CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8/c1-3-19(4-2)29-14-17(12-26-29)22-21-7-8-24-30(21)15-20(27-22)16-11-25-28(13-16)10-9-23-18-5-6-18/h7-8,11-15,18-19,23H,3-6,9-10H2,1-2H3
InChIKeyVXWDADMWHBDHHT-UHFFFAOYSA-N
XLogP3.57
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine (CID 121391062) is N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine is CCC(CC)n1cc(-c2nc(-c3cnn(CCNC4CC4)c3)cn3nccc23)cn1.
What is the InChIKey of N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine?
The InChIKey is VXWDADMWHBDHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8/c1-3-19(4-2)29-14-17(12-26-29)22-21-7-8-24-30(21)15-20(27-22)16-11-25-28(13-16)10-9-23-18-5-6-18/h7-8,11-15,18-19,23H,3-6,9-10H2,1-2H3.
What are the key properties of N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine?
N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine has a molecular weight of 404.52 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 121391062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).