4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole

C10H15BrN2 — CID 169476507

IUPAC4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1cc(C=CCBr)cn1
InChIInChI=1S/C10H15BrN2/c1-9(2)7-13-8-10(6-12-13)4-3-5-11/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyCUOHPFSPORIBGK-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.95
Rot. Bonds4

About 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole

4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole (PubChem CID 169476507) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole.

Molecular Properties

Compound Name4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole
PubChem CID169476507
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole
SMILESCC(C)Cn1cc(C=CCBr)cn1
InChIInChI=1S/C10H15BrN2/c1-9(2)7-13-8-10(6-12-13)4-3-5-11/h3-4,6,8-9H,5,7H2,1-2H3
InChIKeyCUOHPFSPORIBGK-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.95
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 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole?
The IUPAC name of 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole (CID 169476507) is 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole.
What is the SMILES notation for 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole?
The canonical SMILES for 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole is CC(C)Cn1cc(C=CCBr)cn1.
What is the InChIKey of 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole?
The InChIKey is CUOHPFSPORIBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-9(2)7-13-8-10(6-12-13)4-3-5-11/h3-4,6,8-9H,5,7H2,1-2H3.
What are the key properties of 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole?
4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole has a molecular weight of 243.15 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoprop-1-enyl)-1-(2-methylpropyl)pyrazole is sourced from PubChem (CID 169476507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).