3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H22N4O — CID 175893742

IUPAC3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCCCc1c(C(N)=O)nn2cccnc12
InChIInChI=1S/C15H22N4O/c1-2-3-4-5-6-7-9-12-13(14(16)20)18-19-11-8-10-17-15(12)19/h8,10-11H,2-7,9H2,1H3,(H2,16,20)
InChIKeyGWXHPHXKORVNCH-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.73
Rot. Bonds8

About 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 175893742) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID175893742
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCCCc1c(C(N)=O)nn2cccnc12
InChIInChI=1S/C15H22N4O/c1-2-3-4-5-6-7-9-12-13(14(16)20)18-19-11-8-10-17-15(12)19/h8,10-11H,2-7,9H2,1H3,(H2,16,20)
InChIKeyGWXHPHXKORVNCH-UHFFFAOYSA-N
XLogP2.73
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.73
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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Related Compounds

3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462073
1-amino-5-pentylimidazole-4-carboxamide
CID 174369913
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701
N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315776
2-propylpyrazolo[1,5-a]pyrimidin-3-amine
CID 115014726
ethyl 2-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 71742950
4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
CID 175246277
2,3,4-trifluoro-6-heptyl-5-octylbenzamide
CID 57359754
4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide
CID 175246276
3-chloro-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 5241864
butyl [1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2068816

Frequently Asked Questions

What is the IUPAC name of 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 175893742) is 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCCCCCCCc1c(C(N)=O)nn2cccnc12.
What is the InChIKey of 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GWXHPHXKORVNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-3-4-5-6-7-9-12-13(14(16)20)18-19-11-8-10-17-15(12)19/h8,10-11H,2-7,9H2,1H3,(H2,16,20).
What are the key properties of 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 175893742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).