6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H16Br2N6O — CID 19581163

IUPAC6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(CCCNC(=O)c2cc3ncc(Br)cn3n2)c(C)c1Br
InChIInChI=1S/C15H16Br2N6O/c1-9-14(17)10(2)22(20-9)5-3-4-18-15(24)12-6-13-19-7-11(16)8-23(13)21-12/h6-8H,3-5H2,1-2H3,(H,18,24)
InChIKeyOTTHIOHIKKOMON-UHFFFAOYSA-N
MW456.14 g/mol
LogP2.89
Rot. Bonds5

About 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19581163) has the molecular formula C15H16Br2N6O and a molecular weight of 456.14 g/mol. Its IUPAC name is 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19581163
Molecular FormulaC15H16Br2N6O
Molecular Weight456.14 g/mol
Exact Mass453.98
IUPAC Name6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(CCCNC(=O)c2cc3ncc(Br)cn3n2)c(C)c1Br
InChIInChI=1S/C15H16Br2N6O/c1-9-14(17)10(2)22(20-9)5-3-4-18-15(24)12-6-13-19-7-11(16)8-23(13)21-12/h6-8H,3-5H2,1-2H3,(H,18,24)
InChIKeyOTTHIOHIKKOMON-UHFFFAOYSA-N
XLogP2.89
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.14
LogP ≤ 52.89
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

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)propanamide
CID 19537675
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-ethylpyrazole-4-carboxamide
CID 19281138
6-bromo-N-(3-morpholin-4-ium-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 7367024
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 4863020
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19330154
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19330196
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 35284531
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17023663
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2-(4-bromopyrazol-1-yl)butanamide
CID 19551441
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 4772785
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478486

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19581163) is 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(CCCNC(=O)c2cc3ncc(Br)cn3n2)c(C)c1Br.
What is the InChIKey of 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OTTHIOHIKKOMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N6O/c1-9-14(17)10(2)22(20-9)5-3-4-18-15(24)12-6-13-19-7-11(16)8-23(13)21-12/h6-8H,3-5H2,1-2H3,(H,18,24).
What are the key properties of 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 456.14 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19581163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).