5-bromo-1-(cyclopropylmethyl)pyrazole

C7H9BrN2 — CID 84776026

IUPAC5-bromo-1-(cyclopropylmethyl)pyrazole
SMILESBrc1ccnn1CC1CC1
InChIInChI=1S/C7H9BrN2/c8-7-3-4-9-10(7)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeySWCIIXHMWOYTHA-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.06
Rot. Bonds2

About 5-bromo-1-(cyclopropylmethyl)pyrazole

5-bromo-1-(cyclopropylmethyl)pyrazole (PubChem CID 84776026) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropylmethyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(cyclopropylmethyl)pyrazole
PubChem CID84776026
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name5-bromo-1-(cyclopropylmethyl)pyrazole
SMILESBrc1ccnn1CC1CC1
InChIInChI=1S/C7H9BrN2/c8-7-3-4-9-10(7)5-6-1-2-6/h3-4,6H,1-2,5H2
InChIKeySWCIIXHMWOYTHA-UHFFFAOYSA-N
XLogP2.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropylmethyl)pyrazole?
The IUPAC name of 5-bromo-1-(cyclopropylmethyl)pyrazole (CID 84776026) is 5-bromo-1-(cyclopropylmethyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(cyclopropylmethyl)pyrazole?
The canonical SMILES for 5-bromo-1-(cyclopropylmethyl)pyrazole is Brc1ccnn1CC1CC1.
What is the InChIKey of 5-bromo-1-(cyclopropylmethyl)pyrazole?
The InChIKey is SWCIIXHMWOYTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-7-3-4-9-10(7)5-6-1-2-6/h3-4,6H,1-2,5H2.
What are the key properties of 5-bromo-1-(cyclopropylmethyl)pyrazole?
5-bromo-1-(cyclopropylmethyl)pyrazole has a molecular weight of 201.07 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropylmethyl)pyrazole is sourced from PubChem (CID 84776026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).