N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H11BrN4O3 — CID 2240578

IUPACN-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H11BrN4O3/c16-10-6-17-14-4-11(19-20(14)7-10)15(21)18-5-9-1-2-12-13(3-9)23-8-22-12/h1-4,6-7H,5,8H2,(H,18,21)
InChIKeyBNPLLZIDWXJZHJ-UHFFFAOYSA-N
MW375.18 g/mol
LogP2.15
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2240578) has the molecular formula C15H11BrN4O3 and a molecular weight of 375.18 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2240578
Molecular FormulaC15H11BrN4O3
Molecular Weight375.18 g/mol
Exact Mass374.00
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H11BrN4O3/c16-10-6-17-14-4-11(19-20(14)7-10)15(21)18-5-9-1-2-12-13(3-9)23-8-22-12/h1-4,6-7H,5,8H2,(H,18,21)
InChIKeyBNPLLZIDWXJZHJ-UHFFFAOYSA-N
XLogP2.15
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.18
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Benzo[1,3]dioxol-5-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl)-pyrrolidin-1-yl-methanone
CID 649451
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methyl-imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 135217280
7-(difluoromethyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1093977
CFTR activator 1
CID 163264127
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 645620
5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646321
1-(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-4-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 648813
5-(1,3-benzodioxol-5-yl)-N-cyclopentyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 652094
1-(5-Propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperidine-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
CID 653680
N-(1,3-benzodioxol-5-yl)-6-bromo-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1258402
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-5,7-dimethyl-6-[(2-methylphenyl)methyl]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 5103948
6-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 9466114

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2240578) is N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BNPLLZIDWXJZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O3/c16-10-6-17-14-4-11(19-20(14)7-10)15(21)18-5-9-1-2-12-13(3-9)23-8-22-12/h1-4,6-7H,5,8H2,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 375.18 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-6-bromopyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2240578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).