7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H23BrN6O — CID 19468377

IUPAC7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2nccc(-c3nn(CC)cc3Br)n2n1
InChIInChI=1S/C18H23BrN6O/c1-3-5-6-7-9-21-18(26)14-11-16-20-10-8-15(25(16)22-14)17-13(19)12-24(4-2)23-17/h8,10-12H,3-7,9H2,1-2H3,(H,21,26)
InChIKeyJBEPSPYEEIORCF-UHFFFAOYSA-N
MW419.33 g/mol
LogP3.69
Rot. Bonds8

About 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468377) has the molecular formula C18H23BrN6O and a molecular weight of 419.33 g/mol. Its IUPAC name is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19468377
Molecular FormulaC18H23BrN6O
Molecular Weight419.33 g/mol
Exact Mass418.11
IUPAC Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCNC(=O)c1cc2nccc(-c3nn(CC)cc3Br)n2n1
InChIInChI=1S/C18H23BrN6O/c1-3-5-6-7-9-21-18(26)14-11-16-20-10-8-15(25(16)22-14)17-13(19)12-24(4-2)23-17/h8,10-12H,3-7,9H2,1-2H3,(H,21,26)
InChIKeyJBEPSPYEEIORCF-UHFFFAOYSA-N
XLogP3.69
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-(4-bromo-1-ethylpyrazol-3-yl)-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468626
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468432
7-(4-bromo-1-ethylpyrazol-3-yl)-N-prop-2-enylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468380
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468440
dimethyl 5-[[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19468354
7-(4-bromo-1-ethylpyrazol-3-yl)-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468573
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468542
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468641
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468536
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468623
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468639
7-(1,5-dimethylpyrazol-4-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466483

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468377) is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCCCCCNC(=O)c1cc2nccc(-c3nn(CC)cc3Br)n2n1.
What is the InChIKey of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JBEPSPYEEIORCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN6O/c1-3-5-6-7-9-21-18(26)14-11-16-20-10-8-15(25(16)22-14)17-13(19)12-24(4-2)23-17/h8,10-12H,3-7,9H2,1-2H3,(H,21,26).
What are the key properties of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 419.33 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-hexylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).