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

C22H30N8 — CID 121391107

IUPACN,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCCN(C)C)c3)cn3nccc23)cn1
InChIInChI=1S/C22H30N8/c1-5-19(6-2)29-15-18(13-25-29)22-21-8-9-23-30(21)16-20(26-22)17-12-24-28(14-17)11-7-10-27(3)4/h8-9,12-16,19H,5-7,10-11H2,1-4H3
InChIKeyGWFPRBLVHXNVTL-UHFFFAOYSA-N
MW406.54 g/mol
LogP3.77
Rot. Bonds9

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

N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine (PubChem CID 121391107) has the molecular formula C22H30N8 and a molecular weight of 406.54 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
PubChem CID121391107
Molecular FormulaC22H30N8
Molecular Weight406.54 g/mol
Exact Mass406.26
IUPAC NameN,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCCN(C)C)c3)cn3nccc23)cn1
InChIInChI=1S/C22H30N8/c1-5-19(6-2)29-15-18(13-25-29)22-21-8-9-23-30(21)16-20(26-22)17-12-24-28(14-17)11-7-10-27(3)4/h8-9,12-16,19H,5-7,10-11H2,1-4H3
InChIKeyGWFPRBLVHXNVTL-UHFFFAOYSA-N
XLogP3.77
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine (CID 121391107) is N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine is CCC(CC)n1cc(-c2nc(-c3cnn(CCCN(C)C)c3)cn3nccc23)cn1.
What is the InChIKey of N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
The InChIKey is GWFPRBLVHXNVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8/c1-5-19(6-2)29-15-18(13-25-29)22-21-8-9-23-30(21)16-20(26-22)17-12-24-28(14-17)11-7-10-27(3)4/h8-9,12-16,19H,5-7,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine has a molecular weight of 406.54 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 121391107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).