N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

C10H11N7 — CID 104732720

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESNc1[nH]ncc1CNc1nccn2nccc12
InChIInChI=1S/C10H11N7/c11-9-7(6-14-16-9)5-13-10-8-1-2-15-17(8)4-3-12-10/h1-4,6H,5H2,(H,12,13)(H3,11,14,16)
InChIKeyAWBSPZYLEPXMFR-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.65
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine

N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104732720) has the molecular formula C10H11N7 and a molecular weight of 229.25 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104732720
Molecular FormulaC10H11N7
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESNc1[nH]ncc1CNc1nccn2nccc12
InChIInChI=1S/C10H11N7/c11-9-7(6-14-16-9)5-13-10-8-1-2-15-17(8)4-3-12-10/h1-4,6H,5H2,(H,12,13)(H3,11,14,16)
InChIKeyAWBSPZYLEPXMFR-UHFFFAOYSA-N
XLogP0.65
TPSA96.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 104732720) is N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is Nc1[nH]ncc1CNc1nccn2nccc12.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is AWBSPZYLEPXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7/c11-9-7(6-14-16-9)5-13-10-8-1-2-15-17(8)4-3-12-10/h1-4,6H,5H2,(H,12,13)(H3,11,14,16).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine?
N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 229.25 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104732720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).