N-butylpyrazolo[1,5-a]pyrimidin-5-amine

C10H14N4 — CID 86697416

IUPACN-butylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCCNc1ccn2nccc2n1
InChIInChI=1S/C10H14N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h4-5,7-8H,2-3,6H2,1H3,(H,11,13)
InChIKeyCTLHUJXIVFTLIJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.94
Rot. Bonds4

About N-butylpyrazolo[1,5-a]pyrimidin-5-amine

N-butylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 86697416) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-butylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-butylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID86697416
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-butylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCCCCNc1ccn2nccc2n1
InChIInChI=1S/C10H14N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h4-5,7-8H,2-3,6H2,1H3,(H,11,13)
InChIKeyCTLHUJXIVFTLIJ-UHFFFAOYSA-N
XLogP1.94
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-butylpyrazolo[1,5-a]pyrimidin-5-amine (CID 86697416) is N-butylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-butylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-butylpyrazolo[1,5-a]pyrimidin-5-amine is CCCCNc1ccn2nccc2n1.
What is the InChIKey of N-butylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CTLHUJXIVFTLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-3-6-11-9-5-8-14-10(13-9)4-7-12-14/h4-5,7-8H,2-3,6H2,1H3,(H,11,13).
What are the key properties of N-butylpyrazolo[1,5-a]pyrimidin-5-amine?
N-butylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 190.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 86697416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).