3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H17BrN4O3 — CID 19462191

IUPAC3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2nn3cccnc3c2Br)c1
InChIInChI=1S/C17H17BrN4O3/c1-10(12-9-11(24-2)5-6-13(12)25-3)20-17(23)15-14(18)16-19-7-4-8-22(16)21-15/h4-10H,1-3H3,(H,20,23)
InChIKeyJUXUYUINMRHZOU-UHFFFAOYSA-N
MW405.25 g/mol
LogP3.00
Rot. Bonds5

About 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19462191) has the molecular formula C17H17BrN4O3 and a molecular weight of 405.25 g/mol. Its IUPAC name is 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19462191
Molecular FormulaC17H17BrN4O3
Molecular Weight405.25 g/mol
Exact Mass404.05
IUPAC Name3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2nn3cccnc3c2Br)c1
InChIInChI=1S/C17H17BrN4O3/c1-10(12-9-11(24-2)5-6-13(12)25-3)20-17(23)15-14(18)16-19-7-4-8-22(16)21-15/h4-10H,1-3H3,(H,20,23)
InChIKeyJUXUYUINMRHZOU-UHFFFAOYSA-N
XLogP3.00
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464098
3-bromo-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462168
4-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-3-carboxamide
CID 19267393
3-bromo-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462327
3-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 1323549
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 51076839
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(furan-2-yl)-1,3-oxazole-4-carboxamide
CID 95351210
3-bromo-N-[1-(4-butan-2-ylphenyl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462144
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19462191) is 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2nn3cccnc3c2Br)c1.
What is the InChIKey of 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JUXUYUINMRHZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O3/c1-10(12-9-11(24-2)5-6-13(12)25-3)20-17(23)15-14(18)16-19-7-4-8-22(16)21-15/h4-10H,1-3H3,(H,20,23).
What are the key properties of 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 405.25 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2,5-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19462191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).