4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole

C8H11BrN2 — CID 135274332

IUPAC4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole
SMILESCn1ncc(Br)c1CC1CC1
InChIInChI=1S/C8H11BrN2/c1-11-8(4-6-2-3-6)7(9)5-10-11/h5-6H,2-4H2,1H3
InChIKeyMRIGFESRPAHEEG-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.14
Rot. Bonds2

About 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole

4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole (PubChem CID 135274332) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole
PubChem CID135274332
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole
SMILESCn1ncc(Br)c1CC1CC1
InChIInChI=1S/C8H11BrN2/c1-11-8(4-6-2-3-6)7(9)5-10-11/h5-6H,2-4H2,1H3
InChIKeyMRIGFESRPAHEEG-UHFFFAOYSA-N
XLogP2.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole?
The IUPAC name of 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole (CID 135274332) is 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole.
What is the SMILES notation for 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole?
The canonical SMILES for 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole is Cn1ncc(Br)c1CC1CC1.
What is the InChIKey of 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole?
The InChIKey is MRIGFESRPAHEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-11-8(4-6-2-3-6)7(9)5-10-11/h5-6H,2-4H2,1H3.
What are the key properties of 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole?
4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole has a molecular weight of 215.09 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(cyclopropylmethyl)-1-methylpyrazole is sourced from PubChem (CID 135274332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).