3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H41BrN4O — CID 19462073

IUPAC3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1nn2cccnc2c1Br
InChIInChI=1S/C25H41BrN4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-25(31)23-22(26)24-27-20-18-21-30(24)29-23/h18,20-21H,2-17,19H2,1H3,(H,28,31)
InChIKeyZVRUVGQPCBLWEN-UHFFFAOYSA-N
MW493.53 g/mol
LogP7.48
Rot. Bonds18

About 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462073) has the molecular formula C25H41BrN4O and a molecular weight of 493.53 g/mol. Its IUPAC name is 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462073
Molecular FormulaC25H41BrN4O
Molecular Weight493.53 g/mol
Exact Mass492.25
IUPAC Name3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1nn2cccnc2c1Br
InChIInChI=1S/C25H41BrN4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-25(31)23-22(26)24-27-20-18-21-30(24)29-23/h18,20-21H,2-17,19H2,1H3,(H,28,31)
InChIKeyZVRUVGQPCBLWEN-UHFFFAOYSA-N
XLogP7.48
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.53
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 171315776
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
3-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462110
3-bromo-N-pentylpyridine-2-carboxamide
CID 107517688
3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175893742
3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462144
3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462327
4-bromo-1,5-dimethyl-N-octadecylpyrazole-3-carboxamide
CID 19266131
3-bromo-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462295
3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462168
3-bromo-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462308
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462073) is 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)c1nn2cccnc2c1Br.
What is the InChIKey of 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZVRUVGQPCBLWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41BrN4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-25(31)23-22(26)24-27-20-18-21-30(24)29-23/h18,20-21H,2-17,19H2,1H3,(H,28,31).
What are the key properties of 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 493.53 g/mol, XLogP of 7.48, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-octadecylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).