4-bromo-5-chloro-1-(2-methylpropyl)pyrazole

C7H10BrClN2 — CID 115042323

IUPAC4-bromo-5-chloro-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1ncc(Br)c1Cl
InChIInChI=1S/C7H10BrClN2/c1-5(2)4-11-7(9)6(8)3-10-11/h3,5H,4H2,1-2H3
InChIKeyIUKSPXRCZZJXHC-UHFFFAOYSA-N
MW237.53 g/mol
LogP2.95
Rot. Bonds2

About 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole

4-bromo-5-chloro-1-(2-methylpropyl)pyrazole (PubChem CID 115042323) has the molecular formula C7H10BrClN2 and a molecular weight of 237.53 g/mol. Its IUPAC name is 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name4-bromo-5-chloro-1-(2-methylpropyl)pyrazole
PubChem CID115042323
Molecular FormulaC7H10BrClN2
Molecular Weight237.53 g/mol
Exact Mass235.97
IUPAC Name4-bromo-5-chloro-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1ncc(Br)c1Cl
InChIInChI=1S/C7H10BrClN2/c1-5(2)4-11-7(9)6(8)3-10-11/h3,5H,4H2,1-2H3
InChIKeyIUKSPXRCZZJXHC-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
CID 115029825
3-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]propanoic acid
CID 115038025
5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-2-ethyltetrazole
CID 90029848
5-[5-chloro-1-(2-methylpropyl)pyrazol-4-yl]-1-ethyl-2,3-dihydrotetrazole
CID 90028989
4-chloro-1-(2-methylpropyl)pyrazolo[5,4-d]pyrimidine
CID 43154809
1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136923411
7-chloro-1-(2-methylpropyl)indazol-5-amine
CID 90308746
4-bromo-1-tert-butyl-5-chloropyrazole
CID 115042322
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
5-chloro-1-(2-methylpropyl)-3-propan-2-ylpyrazole
CID 66021366
1-(3-bromo-4-chlorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 115566519
5-amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole?
The IUPAC name of 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole (CID 115042323) is 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole is CC(C)Cn1ncc(Br)c1Cl.
What is the InChIKey of 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole?
The InChIKey is IUKSPXRCZZJXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrClN2/c1-5(2)4-11-7(9)6(8)3-10-11/h3,5H,4H2,1-2H3.
What are the key properties of 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole?
4-bromo-5-chloro-1-(2-methylpropyl)pyrazole has a molecular weight of 237.53 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 115042323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).