N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine

C10H10N4 — CID 115372581

IUPACN-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESC#CCCNc1ccn2nccc2n1
InChIInChI=1S/C10H10N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h1,4-5,7-8H,3,6H2,(H,11,13)
InChIKeyWZBPAEPISVGRLR-UHFFFAOYSA-N
MW186.22 g/mol
LogP1.16
Rot. Bonds3

About N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine

N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 115372581) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID115372581
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC NameN-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESC#CCCNc1ccn2nccc2n1
InChIInChI=1S/C10H10N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h1,4-5,7-8H,3,6H2,(H,11,13)
InChIKeyWZBPAEPISVGRLR-UHFFFAOYSA-N
XLogP1.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine (CID 115372581) is N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine is C#CCCNc1ccn2nccc2n1.
What is the InChIKey of N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is WZBPAEPISVGRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h1,4-5,7-8H,3,6H2,(H,11,13).
What are the key properties of N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine?
N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 186.22 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 115372581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).