1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole

C10H15BrN2 — CID 65008892

IUPAC1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CC2(CBr)CC2)n1
InChIInChI=1S/C10H15BrN2/c1-8-5-9(2)13(12-8)7-10(6-11)3-4-10/h5H,3-4,6-7H2,1-2H3
InChIKeyPQFSIVNCVFDANJ-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.68
Rot. Bonds3

About 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole

1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole (PubChem CID 65008892) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole
PubChem CID65008892
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(CC2(CBr)CC2)n1
InChIInChI=1S/C10H15BrN2/c1-8-5-9(2)13(12-8)7-10(6-11)3-4-10/h5H,3-4,6-7H2,1-2H3
InChIKeyPQFSIVNCVFDANJ-UHFFFAOYSA-N
XLogP2.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole (CID 65008892) is 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(CC2(CBr)CC2)n1.
What is the InChIKey of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole?
The InChIKey is PQFSIVNCVFDANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-8-5-9(2)13(12-8)7-10(6-11)3-4-10/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole?
1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole has a molecular weight of 243.15 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(bromomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 65008892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).