4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine

C10H11BrN4 — CID 84808016

IUPAC4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine
SMILESCC(C)c1ccnn1-c1nccc(Br)n1
InChIInChI=1S/C10H11BrN4/c1-7(2)8-3-6-13-15(8)10-12-5-4-9(11)14-10/h3-7H,1-2H3
InChIKeyBKLRMNIGCKCLAP-UHFFFAOYSA-N
MW267.13 g/mol
LogP2.55
Rot. Bonds2

About 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine

4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine (PubChem CID 84808016) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine
PubChem CID84808016
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine
SMILESCC(C)c1ccnn1-c1nccc(Br)n1
InChIInChI=1S/C10H11BrN4/c1-7(2)8-3-6-13-15(8)10-12-5-4-9(11)14-10/h3-7H,1-2H3
InChIKeyBKLRMNIGCKCLAP-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromopyrimidin-2-yl)-5-methylpyrazol-3-amine
CID 84804561
2-(azetidin-1-yl)-4-bromopyrimidine
CID 151172856
2-(5-propan-2-ylpyrazol-1-yl)benzaldehyde
CID 84783440
2-(5-methylpyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 141444808
3-(5-propan-2-ylpyrazol-1-yl)phenol
CID 84776764
4-methyl-2-(5-propan-2-ylpyrazol-1-yl)quinoline
CID 10800759
1-methylsulfanyl-5-propan-2-ylpyrazole
CID 170060430
2-(5-ethylpyrazol-1-yl)pyrimidine-4-carboxylic acid
CID 84785997
1-[3-(5-propan-2-ylpyrazol-1-yl)phenyl]ethanone
CID 84792242
2-methyl-2-(5-propan-2-ylpyrazol-1-yl)propan-1-amine
CID 84732403
1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine
CID 177189575
CID 174069599
CID 174069599

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine (CID 84808016) is 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine is CC(C)c1ccnn1-c1nccc(Br)n1.
What is the InChIKey of 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine?
The InChIKey is BKLRMNIGCKCLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c1-7(2)8-3-6-13-15(8)10-12-5-4-9(11)14-10/h3-7H,1-2H3.
What are the key properties of 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine?
4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine has a molecular weight of 267.13 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(5-propan-2-ylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 84808016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).