N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C11H14N4O — CID 19414698

IUPACN-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnn2cccnc12
InChIInChI=1S/C11H14N4O/c1-2-3-5-13-11(16)9-8-14-15-7-4-6-12-10(9)15/h4,6-8H,2-3,5H2,1H3,(H,13,16)
InChIKeyMIBZKARUCITICD-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.26
Rot. Bonds4

About N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19414698) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19414698
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnn2cccnc12
InChIInChI=1S/C11H14N4O/c1-2-3-5-13-11(16)9-8-14-15-7-4-6-12-10(9)15/h4,6-8H,2-3,5H2,1H3,(H,13,16)
InChIKeyMIBZKARUCITICD-UHFFFAOYSA-N
XLogP1.26
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.26
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]pyrimidine-3-carboxamide?
The IUPAC name of N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19414698) is N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCNC(=O)c1cnn2cccnc12.
What is the InChIKey of N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MIBZKARUCITICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-3-5-13-11(16)9-8-14-15-7-4-6-12-10(9)15/h4,6-8H,2-3,5H2,1H3,(H,13,16).
What are the key properties of N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-butylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.26, 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]pyrimidine-3-carboxamide is sourced from PubChem (CID 19414698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).